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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H23FN4O2S
Molecular Weight 510.582
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-85783

SMILES

CN(C)C(=O)N1C=C(C(=O)C2=C3CS[C@@H](N3C=C2)C4=CC=CN=C4)C5=C1C=C(C=C5)C6=CC=C(F)C=C6

InChI

InChIKey=YGUVFPOGHIKVPP-MUUNZHRXSA-N
InChI=1S/C29H23FN4O2S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-37-28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H23FN4O2S
Molecular Weight 510.582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:43:03 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:03 GMT 2025
Record UNII
OCS3J46F47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-85783
Common Name English
(R)-6-(4-FLUOROPHENYL)-N,N-DIMETHYL-3-(3-(3-PYRIDINYL)-1H,3H-PYRROLO(1,2-C)THIAZOL-7-YL)CARBONYL-1H-INDOLE-1-CARBOXAMIDE
Preferred Name English
1H-INDOLE-1-CARBOXAMIDE, 6-(4-FLUOROPHENYL)-N,N-DIMETHYL-3-(((3R)-3-(3-PYRIDINYL)-1H,3H-PYRROLO(1,2-C)THIAZOL-7-YL)CARBONYL)-
Systematic Name English
Code System Code Type Description
CAS
161395-33-1
Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025
PRIMARY
PUBCHEM
9957997
Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID20433311
Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025
PRIMARY
FDA UNII
OCS3J46F47
Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025
PRIMARY
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