Vitas-M small molecule compound

2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK686585
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CC(C2)(C)C)c1cccnc1Cl

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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 C29H25ClN6OS MW 541.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN6OS/c1-29(2)11-22-26(23(37)12-29)25(18(13-31)28(32)36(22)21-8-5-9-33-27(21)30)24-10-17(15-38-24)14-35-16-34-19-6-3-4-7-20(19)35/h3-10,15-16,25H,11-12,14,32H2,1-2H3
InChIKey
MCXRVCZVLOOZQN-UHFFFAOYSA-N
Synonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(2chloropyridin3yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4(BENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)1(2CHLOROPYRIDIN3YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1)C
Registry IDs
MFCD06016230
ZINC000098007987
ZINC000098007988

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Available files

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