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=C(C=C(NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C1C(=O)C4=CC=CC=C4C3=O)C5=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 Fri Dec 15 18:50:11 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:11 GMT 2023
Record UNII
Y79NUI8NV3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
C.I. 67110
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 Fri Dec 15 18:50:11 GMT 2023 , Edited by admin on Fri Dec 15 18:50:11 GMT 2023
PRIMARY
FDA UNII
Y79NUI8NV3
Created by admin on Fri Dec 15 18:50:11 GMT 2023 , Edited by admin on Fri Dec 15 18:50:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-370-3
Created by admin on Fri Dec 15 18:50:11 GMT 2023 , Edited by admin on Fri Dec 15 18:50:11 GMT 2023
PRIMARY
CAS
6492-78-0
Created by admin on Fri Dec 15 18:50:11 GMT 2023 , Edited by admin on Fri Dec 15 18:50:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50215228
Created by admin on Fri Dec 15 18:50:11 GMT 2023 , Edited by admin on Fri Dec 15 18:50:11 GMT 2023
PRIMARY