Vitas-M small molecule compound
methyl 4-[4-(1H-benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK783442
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)Cn1cnc3c1cccc3)C)C(=O)CCC2
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-14-22(25(30)31-3)24(23-18(27-14)8-6-10-20(23)29)21-11-16(15(2)32-21)12-28-13-26-17-7-4-5-9-19(17)28/h4-5,7,9,11,13,24,27H,6,8,10,12H2,1-3H3InChIKey
VKZVOBHILZKOID-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)CN4C=NC5=CC=CC=C54)C(=O)OC
InChI=1SC25H25N3O3Sc11422(25(30)313)24(2318(2714)861020(23)29)211116(15(2)3221)1228132617745919(17)28h457911132427H681012H213H3
methyl4(4(1Hbenzimidazol1ylmethyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4(benzimidazol1ylmethyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD06618236
ZINC000012372421
ZINC000012372422
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