Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK541948
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccccc1C
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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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-5-15-35-28(33)25-19(4)30-27(36-17-24(32)31-23-10-8-7-9-18(23)3)22(16-29)26(25)20-11-13-21(14-12-20)34-6-2/h5,7-14,26,30H,1,6,15,17H2,2-4H3,(H,31,32)InChIKey
APCAYBQHWBWAQW-UHFFFAOYSA-NSynonyms
498536-48-4498536484
allyl5cyano4(4ethoxyphenyl)2methyl6((2oxo2(otolylamino)ethyl)thio)14dihydropyridine3carboxylate
CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC=CC=C3C)C#N
InChI=1SC28H29N3O4Sc15153528(33)2519(4)3027(361724(32)31231087918(23)3)22(1629)26(25)20111321(141220)3462h57142630H161517H224H3(H3132)
MFCD03301709
prop2en1yl5cyano4(4ethoxyphenyl)2methyl6((2((2methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4ETHOXYPHENYL)2METHYL6(2(2METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020102723
ZINC000020102726
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