Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK840990
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1cc(Cl)ccc1C
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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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-5-12-34-27(33)24-18(4)30-26(21(14-29)25(24)19-9-6-16(2)7-10-19)35-15-23(32)31-22-13-20(28)11-8-17(22)3/h5-11,13,25,30H,1,12,15H2,2-4H3,(H,31,32)InChIKey
JNETWVDSFYMRPB-UHFFFAOYSA-NSynonyms
442556-35-6442556356
ALLYL6((2((5CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)THIO)5CYANO2METHYL4(PTOLYL)14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=C(C=CC(=C3)Cl)C)C#N
InChI=1SC27H26ClN3O3Sc15123427(33)2418(4)3026(21(1429)25(24)199616(2)71019)351523(32)31221320(28)11817(22)3h511132530H11215H224H3(H3132)
MFCD03305102
prop2en1yl6((2((5chloro2methylphenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4(4methylphenyl)14dihydropyridine3carboxylate
PROP2ENYL6(2(5CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL5CYANO2METHYL4(4METHYLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020131357
ZINC000020131361
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