Vitas-M small molecule compound
5-cyano-N-(2-methoxyphenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826325
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccc(o1)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 C29H28N4O5S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5S/c1-17-9-14-24(38-17)27-21(15-30)29(39-16-25(34)32-19-10-12-20(36-3)13-11-19)31-18(2)26(27)28(35)33-22-7-5-6-8-23(22)37-4/h5-14,27,31H,16H2,1-4H3,(H,32,34)(H,33,35)InChIKey
BFXCBDYDIVOFRO-UHFFFAOYSA-NSynonyms
5CYANO6(2(4METHOXYANILINO)2OXOETHYL)SULFANYLN(2METHOXYPHENYL)2METHYL4(5METHYLFURAN2YL)14DIHYDROPYRIDINE3CARBOXAMIDE
5cyanoN(2methoxyphenyl)6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl4(5methylfuran2yl)14dihydropyridine3carboxamide
CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3OC)C)SCC(=O)NC4=CC=C(C=C4)OC)C#N
InChI=1SC29H28N4O5Sc11791424(3817)2721(1530)29(391625(34)3219101220(363)131119)3118(2)26(27)28(35)3322756823(22)374h5142731H16H214H3(H3234)(H3335)
MFCD03153961
ZINC000102160724
ZINC000102160729
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