Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK543138
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)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 C28H28ClN3O4S MW 538.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O4S/c1-5-13-36-28(34)25-18(4)31-27(37-16-24(33)32-20-10-7-17(3)23(29)14-20)22(15-30)26(25)19-8-11-21(12-9-19)35-6-2/h5,7-12,14,26,31H,1,6,13,16H2,2-4H3,(H,32,33)InChIKey
HWCDCPMVPBKFMZ-UHFFFAOYSA-NSynonyms
497942-08-2497942082
allyl6((2((3chloro4methylphenyl)amino)2oxoethyl)thio)5cyano4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C#N
InChI=1SC28H28ClN3O4Sc15133628(34)2518(4)3127(371624(33)322010717(3)23(29)1420)22(1530)26(25)1981121(12919)3562h5712142631H161316H224H3(H3233)
MFCD03301361
prop2en1yl6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL5CYANO4(4ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097951683
ZINC000097951684
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