Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL419046
SMILES CCOc1ccc(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 C23H16ClNO5S2 MW 485.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClNO5S2/c1-2-29-15-6-4-14(5-7-15)25-21(26)20(32-23(25)31)12-16-8-10-19(30-16)13-3-9-18(24)17(11-13)22(27)28/h3-12H,2H2,1H3,(H,27,28)/b20-12+InChIKey
CNOAZTNISLTINO-UDWIEESQSA-NSynonyms
2CHLORO5(5((E)(3(4ETHOXYPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro5(5((E)(3(4ethoxyphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S
CCOc1ccc(cc1)N1C(=S)SC(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O
InChI=1SC23H16ClNO5S2c1229156414(5715)2521(26)20(3223(25)31)121681019(3016)133918(24)17(1113)22(27)28h312H2H21H3(H2728)b2012+
MFCD04084351
ZINC000009310429
ZINC9310429
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