Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK667124
SMILES S=C1S/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C(=O)N1n1c(C)ccc1C
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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 C21H15ClN2O4S2 MW 458.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O4S2/c1-11-3-4-12(2)23(11)24-19(25)18(30-21(24)29)10-14-6-8-17(28-14)13-5-7-16(22)15(9-13)20(26)27/h3-10H,1-2H3,(H,26,27)/b18-10+InChIKey
WNPIYKBUHMZUJG-VCHYOVAHSA-NSynonyms
2chloro5(5((E)(3(25dimethyl1Hpyrrol1yl)4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
2CHLORO5(5((E)(3(25DIMETHYLPYRROL1YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC=C(N1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S)C
InChI=1SC21H15ClN2O4S2c1113412(2)23(11)2419(25)18(3021(24)29)10146817(2814)135716(22)15(913)20(26)27h310H12H3(H2627)b1810+
MFCD04084114
S=C1SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C(=O)N1n1c(C)ccc1C
ZINC000016347986
ZINC16347986
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