Vitas-M small molecule compound
ethyl 6-({2-[(4-butylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886223
SMILES CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1ccccc1Cl
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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 C33H32ClN3O3S MW 586.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O3S/c1-3-5-11-22-16-18-24(19-17-22)36-28(38)21-41-32-26(20-35)29(25-14-9-10-15-27(25)34)30(33(39)40-4-2)31(37-32)23-12-7-6-8-13-23/h6-10,12-19,29,37H,3-5,11,21H2,1-2H3,(H,36,38)InChIKey
VYWATVMDMVWKPO-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4Cl)C#N
ethyl6((2((4butylphenyl)amino)2oxoethyl)sulfanyl)4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
ethyl6(2(4butylanilino)2oxoethyl)sulfanyl4(2chlorophenyl)5cyano2phenyl14dihydropyridine3carboxylate
InChI=1SC33H32ClN3O3Sc1351122161824(191722)3628(38)21413226(2035)29(25149101527(25)34)30(33(39)4042)31(3732)23127681323h61012192937H351121H212H3(H3638)
MFCD05717335
ZINC000101305205
ZINC000101305207
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