Vitas-M small molecule compound
4-chloro-3-{5-[(E)-{(2Z)-2-[(2,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STL415688
SMILES Cc1ccc(c(c1)C)/N=C\1/NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/S1
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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 C23H17ClN2O4S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4S/c1-12-3-7-18(13(2)9-12)25-23-26-21(27)20(31-23)11-15-5-8-19(30-15)16-10-14(22(28)29)4-6-17(16)24/h3-11H,1-2H3,(H,28,29)(H,25,26,27)/b20-11+InChIKey
WNQRPXVOCWOPEG-RGVLZGJSSA-NSynonyms
4chloro3(5((E)((2Z)2((24dimethylphenyl)imino)4oxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
4chloro3(5((E)(2(24dimethylanilino)4oxo13thiazol5ylidene)methyl)furan2yl)benzoicacid
CC1=CC(=C(C=C1)NC2=NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)S2)C
Cc1ccc(c(c1)C)N=C1NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)S1
InChI=1SC23H17ClN2O4Sc1123718(13(2)912)25232621(27)20(3123)11155819(3015)161014(22(28)29)4617(16)24h311H12H3(H2829)(H252627)b2011+
MFCD30706817
ZINC000223254360
ZINC223254360
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