Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK541403
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1c(C)cccc1C
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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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-6-14-34-28(33)24-20(5)30-27(22(15-29)25(24)21-12-10-17(2)11-13-21)35-16-23(32)31-26-18(3)8-7-9-19(26)4/h6-13,25,30H,1,14,16H2,2-5H3,(H,31,32)InChIKey
VDKAZUWLYUIPEX-UHFFFAOYSA-NSynonyms
487038-37-9487038379
allyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)thio)2methyl4(ptolyl)14dihydropyridine3carboxylate
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=C(C=CC=C3C)C)C#N
InChI=1SC28H29N3O3Sc16143428(33)2420(5)3027(22(1529)25(24)21121017(2)111321)351623(32)312618(3)87919(26)4h6132530H11416H225H3(H3132)
MFCD03287486
prop2en1yl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl4(4methylphenyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL4(4METHYLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020057975
ZINC000020057976
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