Vitas-M small molecule compound
ethyl 4-[({[4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK885859
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(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 C23H20ClN3O4S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4S/c1-2-31-23(30)15-5-9-17(10-6-15)26-21(29)13-32-22-19(12-25)18(11-20(28)27-22)14-3-7-16(24)8-4-14/h3-10,18H,2,11,13H2,1H3,(H,26,29)(H,27,28)InChIKey
ZHZINWVTAVAZJQ-UHFFFAOYSA-NSynonyms
701228-11-7701228117
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)Cl)C#N
ethyl4((((4(4chlorophenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((4(4CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H20ClN3O4Sc123123(30)155917(10615)2621(29)13322219(1225)18(1120(28)2722)143716(24)8414h31018H21113H21H3(H2629)(H2728)
MFCD04218864
ZINC000001114285
ZINC000001114286
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