Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK544170
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1C)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-6-13-34-28(33)25-20(5)30-27(22(15-29)26(25)21-10-7-17(2)8-11-21)35-16-24(32)31-23-12-9-18(3)14-19(23)4/h6-12,14,26,30H,1,13,16H2,2-5H3,(H,31,32)InChIKey
SICLLFBONQGFCF-UHFFFAOYSA-NSynonyms
488854-62-2488854622
allyl5cyano6((2((24dimethylphenyl)amino)2oxoethyl)thio)2methyl4(ptolyl)14dihydropyridine3carboxylate
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=C(C=C(C=C3)C)C)C#N
InChI=1SC28H29N3O3Sc16133428(33)2520(5)3027(22(1529)26(25)2110717(2)81121)351624(32)312312918(3)1419(23)4h612142630H11316H225H3(H3132)
MFCD03294893
prop2en1yl5cyano6((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl4(4methylphenyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL4(4METHYLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020081388
ZINC000020081392
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