Vitas-M small molecule compound
2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK686635
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)C2=C(C1c1scc(c1)Cn1cnc3c1cccc3)C(=O)CC(C2)(C)C
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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 C30H26ClN5OS MW 540.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN5OS/c1-30(2)12-24-28(25(37)13-30)27(21(14-32)29(33)36(24)20-7-5-6-19(31)11-20)26-10-18(16-38-26)15-35-17-34-22-8-3-4-9-23(22)35/h3-11,16-17,27H,12-13,15,33H2,1-2H3InChIKey
ABLNOSIZSPBBJK-UHFFFAOYSA-NSynonyms
2amino4(4(1Hbenzimidazol1ylmethyl)thiophen2yl)1(3chlorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile2AMINO4(4(BENZIMIDAZOL1YLMETHYL)THIOPHEN2YL)1(3CHLOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CN5C=NC6=CC=CC=C65)C(=O)C1)C
Registry IDs
MFCD06016658ZINC000098008001
ZINC000098008002
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