Vitas-M small molecule compound
2-[(5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
Catalog ID
STL022756
SMILES CCCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O)C(=O)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 C19H15ClN2O6S2 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O6S2/c1-2-3-14(18(24)25)21-17(23)16(30-19(21)29)9-11-5-7-15(28-11)12-6-4-10(22(26)27)8-13(12)20/h4-9,14H,2-3H2,1H3,(H,24,25)/b16-9-InChIKey
CCOBDWHEZJQITP-SXGWCWSVSA-NSynonyms
2((5Z)5((5(2chloro4nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanoicacid
2((5Z)5((5(2chloro4nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)pentanoicacid
CCCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)SC1=S
CCCC(N1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C1=O)C(=O)O
InChI=1SC19H15ClN2O6S2c12314(18(24)25)2117(23)16(3019(21)29)9115715(2811)126410(22(26)27)813(12)20h4914H23H21H3(H2425)b169
MFCD18187207
ZINC000051364658
ZINC000051364659
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