Vitas-M small molecule compound
6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK699801
SMILES N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)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 C27H22BrN3O3S2 MW 580.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O3S2/c1-16-24(26(33)31-20-6-3-4-7-22(20)34-2)25(23-8-5-13-35-23)19(14-29)27(30-16)36-15-21(32)17-9-11-18(28)12-10-17/h3-13,25,30H,15H2,1-2H3,(H,31,33)InChIKey
SFMARMGOTNNZJD-UHFFFAOYSA-NSynonyms
6((2(4bromophenyl)2oxoethyl)sulfanyl)5cyanoN(2methoxyphenyl)2methyl4(thiophen2yl)14dihydropyridine3carboxamide
6((2(4bromophenyl)2oxoethyl)thio)5cyanoN(2methoxyphenyl)2methyl4(thiophen2yl)14dihydropyridine3carboxamide
6(2(4BROMOPHENYL)2OXOETHYL)SULFANYL5CYANON(2METHOXYPHENYL)2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4OC
InChI=1SC27H22BrN3O3S2c11624(26(33)3120634722(20)342)25(2385133523)19(1429)27(3016)361521(32)1791118(28)121017h3132530H15H212H3(H3133)
MFCD00311206
ZINC000006015260
ZINC000006137123
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