Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK545853
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)Nc1ccc(c(c1)F)F
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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 C27H23F2N3O5S MW 539.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F2N3O5S/c1-4-11-37-27(35)23-15(2)31-25(38-14-22(33)32-18-9-10-20(28)21(29)12-18)19(13-30)24(23)16-5-7-17(8-6-16)26(34)36-3/h4-10,12,24,31H,1,11,14H2,2-3H3,(H,32,33)InChIKey
RBWDMJSLYIJDBN-UHFFFAOYSA-NSynonyms
500277-67-8500277678
allyl5cyano6((2((34difluorophenyl)amino)2oxoethyl)thio)4(4(methoxycarbonyl)phenyl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)F)F)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC=C
InChI=1SC27H23F2N3O5Sc14113727(35)2315(2)3125(381422(33)321891020(28)21(29)1218)19(1330)24(23)165717(8616)26(34)363h410122431H11114H223H3(H3233)
MFCD03305231
prop2en1yl5cyano6((2((34difluorophenyl)amino)2oxoethyl)sulfanyl)4(4(methoxycarbonyl)phenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(34DIFLUOROANILINO)2OXOETHYL)SULFANYL4(4METHOXYCARBONYLPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097940078
ZINC000097940079
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