Vitas-M small molecule compound
ethyl 4-(5-{(E)-[(2Z)-2-{2-[(3-chlorophenyl)amino]-1-cyano-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK740564
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=c\1/s/c(=C(\C(=O)Nc2cccc(c2)Cl)/C#N)/n(c1=O)c1ccccc1
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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 C32H22ClN3O5S MW 596.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22ClN3O5S/c1-2-40-32(39)21-13-11-20(12-14-21)27-16-15-25(41-27)18-28-30(38)36(24-9-4-3-5-10-24)31(42-28)26(19-34)29(37)35-23-8-6-7-22(33)17-23/h3-18H,2H2,1H3,(H,35,37)/b28-18+,31-26-InChIKey
RVCJZSYRUVOLRW-JXYNQZCOSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=C(C#N)C(=O)NC4=CC(=CC=C4)Cl)S3)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc(=C(C(=O)Nc2cccc(c2)Cl)C#N)n(c1=O)c1ccccc1
ETHYL4(5((2((N(3CHLOROPHENYL)CARBAMOYL)CYANOMETHYLENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
ethyl4(5((E)((2Z)2(2((3chlorophenyl)amino)1cyano2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)methyl)furan2yl)benzoate
ETHYL4(5((E)((2Z)2(2(3CHLOROANILINO)1CYANO2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ethyl4(5((E)((Z)2(2((3chlorophenyl)amino)1cyano2oxoethylidene)4oxo3phenylthiazolidin5ylidene)methyl)furan2yl)benzoate
InChI=1SC32H22ClN3O5Sc124032(39)21131120(121421)27161525(4127)182830(38)36(2494351024)31(4228)26(1934)29(37)352386722(33)1723h318H2H21H3(H3537)b2818+3126
MFCD03676909
ZINC000097968734
ZINC97968734
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