Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK537060
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)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 C26H25Cl2N3O3S MW 530.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2N3O3S/c1-15-22(25(33)34-26(2,3)4)23(16-5-7-17(27)8-6-16)20(13-29)24(30-15)35-14-21(32)31-19-11-9-18(28)10-12-19/h5-12,23,30H,14H2,1-4H3,(H,31,32)InChIKey
JTNSVINVFPOUGG-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC26H25Cl2N3O3Sc11522(25(33)3426(23)4)23(165717(27)8616)20(1329)24(3015)351421(32)311911918(28)101219h5122330H14H214H3(H3132)
MFCD02239569
tertbutyl4(4chlorophenyl)6((2((4chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)6((2((4chlorophenyl)amino)2oxoethyl)thio)5cyano2methyl14dihydropyridine3carboxylate
TERTBUTYL6(2(4CHLOROANILINO)2OXOETHYL)SULFANYL4(4CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000002297363
ZINC000097950496
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