Vitas-M small molecule compound
5-cyano-6-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK548027
SMILES N#CC1=C(SCC(=O)N2CCc3c(C2)cc(c(c3)OC)OC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1)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 C31H30N4O4S2 MW 586.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4S2/c1-19-28(30(37)34-22-8-5-4-6-9-22)29(26-10-7-13-40-26)23(16-32)31(33-19)41-18-27(36)35-12-11-20-14-24(38-2)25(39-3)15-21(20)17-35/h4-10,13-15,29,33H,11-12,17-18H2,1-3H3,(H,34,37)InChIKey
FMJYVHIVIYLETA-UHFFFAOYSA-NSynonyms
5CYANO6((2(67DIMETHOXY34DIHYDRO2(1H)ISOQUINOLINYL)2OXOETHYL)SULFANYL)2METHYLNPHENYL4(2THIENYL)14DIHYDRO3PYRIDINECARBOXAMIDE
5cyano6((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)2methylNphenyl4(thiophen2yl)14dihydropyridine3carboxamide
5cyano6((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)2methylNphenyl4(thiophen2yl)14dihydropyridine3carboxamide
5CYANO6(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL2METHYLNPHENYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C4=CC=CS4)C(=O)NC5=CC=CC=C5
InChI=1SC31H30N4O4S2c11928(30(37)34228546922)29(26107134026)23(1632)31(3319)411827(36)351211201424(382)25(393)1521(20)1735h41013152933H11121718H213H3(H3437)
MFCD03234660
ZINC000008442051
ZINC000008442052
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