Vitas-M small molecule compound
5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826527
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)OC)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 C30H28N4O5S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5S/c1-18-27(29(37)34-20-8-5-4-6-9-20)28(19-12-13-24(35)25(14-19)39-3)23(16-31)30(32-18)40-17-26(36)33-21-10-7-11-22(15-21)38-2/h4-15,28,32,35H,17H2,1-3H3,(H,33,36)(H,34,37)InChIKey
NACVULPENSAQSI-UHFFFAOYSA-NSynonyms
5cyano4(4hydroxy3methoxyphenyl)6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methylNphenyl14dihydropyridine3carboxamide
5cyano4(4hydroxy3methoxyphenyl)6(2(3methoxyanilino)2oxoethyl)sulfanyl2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4
InChI=1SC30H28N4O5Sc11827(29(37)34208546920)28(19121324(35)25(1419)393)23(1631)30(3218)401726(36)33211071122(1521)382h415283235H17H213H3(H3336)(H3437)
MFCD10086488
ZINC000098048763
ZINC000098048764
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