Vitas-M small molecule compound

4-[5-(1H-benzimidazol-1-ylmethyl)thiophen-3-yl]-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Catalog ID
STK785052
SMILES CC1=C(C(=O)Nc2ccccc2)C(C2=C(N1)CCCC2=O)c1csc(c1)Cn1cnc2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H26N4O2S MW 494.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O2S/c1-18-26(29(35)32-20-8-3-2-4-9-20)27(28-23(31-18)11-7-13-25(28)34)19-14-21(36-16-19)15-33-17-30-22-10-5-6-12-24(22)33/h2-6,8-10,12,14,16-17,27,31H,7,11,13,15H2,1H3,(H,32,35)
InChIKey
ISJUWSJVBMGJHE-UHFFFAOYSA-N
Synonyms

4(5(1Hbenzimidazol1ylmethyl)thiophen3yl)2methyl5oxoNphenyl145678hexahydroquinoline3carboxamide
4(5(benzimidazol1ylmethyl)thiophen3yl)2methyl5oxoNphenyl4678tetrahydro1Hquinoline3carboxamide
CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC(=C3)CN4C=NC5=CC=CC=C54)C(=O)NC6=CC=CC=C6
InChI=1SC29H26N4O2Sc11826(29(35)32208324920)27(2823(3118)1171325(28)34)191421(361619)153317302210561224(22)33h26810121416172731H7111315H21H3(H3235)
MFCD07657675
ZINC000012416416
ZINC000019933275

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Available files

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