Vitas-M small molecule compound
6-[(2-{[4-(acetylamino)phenyl]amino}-2-oxoethyl)sulfanyl]-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826510
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)NC(=O)C)NC(=C(C1c1ccc(c(c1)OC)O)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 C31H29N5O5S MW 583.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O5S/c1-18-28(30(40)36-21-7-5-4-6-8-21)29(20-9-14-25(38)26(15-20)41-3)24(16-32)31(33-18)42-17-27(39)35-23-12-10-22(11-13-23)34-19(2)37/h4-15,29,33,38H,17H2,1-3H3,(H,34,37)(H,35,39)(H,36,40)InChIKey
UOJNAPOVEYETSB-UHFFFAOYSA-NSynonyms
6((2((4(acetylamino)phenyl)amino)2oxoethyl)sulfanyl)5cyano4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
6(2(4ACETAMIDOANILINO)2OXOETHYL)SULFANYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYLNPHENYL14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4
InChI=1SC31H29N5O5Sc11828(30(40)36217546821)29(2091425(38)26(1520)413)24(1632)31(3318)421727(39)3523121022(111323)3419(2)37h415293338H17H213H3(H3437)(H3539)(H3640)
MFCD04219491
ZINC000059602875
ZINC000059602880
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