Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL428474
SMILES COc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O
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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 C22H14ClNO5S2 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClNO5S2/c1-28-14-5-3-13(4-6-14)24-20(25)19(31-22(24)30)11-15-7-9-18(29-15)12-2-8-17(23)16(10-12)21(26)27/h2-11H,1H3,(H,26,27)/b19-11+InChIKey
RMABOSXGNHJXSS-YBFXNURJSA-NSynonyms
2CHLORO5(5((E)(3(4METHOXYPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro5(5((E)(3(4methoxyphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S
COc1ccc(cc1)N1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O
InChI=1SC22H14ClNO5S2c128145313(4614)2420(25)19(3122(24)30)11157918(2915)122817(23)16(1012)21(26)27h211H1H3(H2627)b1911+
MFCD03706515
ZINC000006645251
ZINC6645251
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