Vitas-M small molecule compound
methyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538586
SMILES CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCc1ccc(cc1)Cl
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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 C23H21ClN2O4S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O4S/c1-3-30-17-10-6-15(7-11-17)19-18(12-25)22(26-21(27)20(19)23(28)29-2)31-13-14-4-8-16(24)9-5-14/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)InChIKey
ZGGQNSGYMAMCAE-UHFFFAOYSA-NSynonyms
370851-03-9370851039
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C(=O)OC
InChI=1SC23H21ClN2O4Sc13301710615(71117)1918(1225)22(2621(27)20(19)23(28)292)3113144816(24)9514h4111920H313H212H3(H2627)
methyl6((4chlorobenzyl)sulfanyl)5cyano4(4ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((4chlorobenzyl)thio)5cyano4(4ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6((4CHLOROPHENYL)METHYLSULFANYL)5CYANO4(4ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD02999828
ZINC000009331313
ZINC000016956845
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