U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C37H18F3N3O5S
Molecular Weight 673.616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VAT BLUE 30

SMILES

NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(NC(=O)C4=CC(=CC=C4)C(F)(F)F)C=C1C5=NC6=C(S5)C=C7C(=O)C8=C(C=CC=C8)C(=O)C7=C6

InChI

InChIKey=FJYGWZSEFUBVML-UHFFFAOYSA-N
InChI=1S/C37H18F3N3O5S/c38-37(39,40)17-7-5-6-16(12-17)35(48)42-26-14-24(30(41)29-28(26)33(46)20-10-3-4-11-21(20)34(29)47)36-43-25-13-22-23(15-27(25)49-36)32(45)19-9-2-1-8-18(19)31(22)44/h1-15H,41H2,(H,42,48)

HIDE SMILES / InChI

Molecular Formula C37H18F3N3O5S
Molecular Weight 673.616
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:22:03 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:03 GMT 2025
Record UNII
Y79NUI8NV3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
C.I. 67110
Preferred Name English
VAT BLUE 30
Common Name English
BENZAMIDE, N-(4-AMINO-3-(5,10-DIHYDRO-5,10-DIOXOANTHRA(2,3-D)THIAZOL-2-YL)-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
INDANTHREN BLUE CLB
Common Name English
C.I. VAT BLUE 30
Common Name English
CI 67110
Common Name English
CI VAT BLUE 30
Common Name English
M-TOLUAMIDE, N-(4-AMINO-3-(5,10-DIHYDRO-5,10-DIOXOANTHRA(2,3-D)THIAZOL-2-YL)-1-ANTHRAQUINONYL)-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Systematic Name English
PALANTHRENE BLUE CLB
Common Name English
MIKETHRENE BLUE CLB
Common Name English
Code System Code Type Description
PUBCHEM
5483458
Created by admin on Mon Mar 31 19:22:03 GMT 2025 , Edited by admin on Mon Mar 31 19:22:03 GMT 2025
PRIMARY
FDA UNII
Y79NUI8NV3
Created by admin on Mon Mar 31 19:22:03 GMT 2025 , Edited by admin on Mon Mar 31 19:22:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-370-3
Created by admin on Mon Mar 31 19:22:03 GMT 2025 , Edited by admin on Mon Mar 31 19:22:03 GMT 2025
PRIMARY
CAS
6492-78-0
Created by admin on Mon Mar 31 19:22:03 GMT 2025 , Edited by admin on Mon Mar 31 19:22:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID50215228
Created by admin on Mon Mar 31 19:22:03 GMT 2025 , Edited by admin on Mon Mar 31 19:22:03 GMT 2025
PRIMARY