Vitas-M small molecule compound
methyl 4-{(E)-[(2E)-2-{1-cyano-2-[(2,4-dichlorophenyl)amino]-2-oxoethylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}benzoate
Catalog ID
STL240726
SMILES N#C/C(=c/1\s/c(=C/c2ccc(cc2)C(=O)OC)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(cc1Cl)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 C27H17Cl2N3O4S MW 550.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17Cl2N3O4S/c1-36-27(35)17-9-7-16(8-10-17)13-23-25(34)32(19-5-3-2-4-6-19)26(37-23)20(15-30)24(33)31-22-12-11-18(28)14-21(22)29/h2-14H,1H3,(H,31,33)/b23-13+,26-20+InChIKey
XMBZLJPBTAIJTQ-HHGFJZNKSA-NSynonyms
846599-97-1846599971
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)Cl)S2)C4=CC=CC=C4
InChI=1SC27H17Cl2N3O4Sc13627(35)179716(81017)132325(34)32(195324619)26(3723)20(1530)24(33)3122121118(28)1421(22)29h214H1H3(H3133)b2313+2620+
methyl4((E)((2E)2(1cyano2((24dichlorophenyl)amino)2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)methyl)benzoate
METHYL4((E)((2E)2(1CYANO2(24DICHLOROANILINO)2OXOETHYLIDENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((E)((E)2(1cyano2((24dichlorophenyl)amino)2oxoethylidene)4oxo3phenylthiazolidin5ylidene)methyl)benzoate
MFCD04177122
N#CC(=c1sc(=Cc2ccc(cc2)C(=O)OC)c(=O)n1c1ccccc1)C(=O)Nc1ccc(cc1Cl)Cl
ZINC000101133870
ZINC101133870
Check stock
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Check stock on Vitas-MAvailable files
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