Vitas-M small molecule compound
(5E)-3-(2-chloro-6-fluorobenzyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STL379342
SMILES COc1cc(/C=C\2/SC(=O)N(C2=O)Cc2c(F)cccc2Cl)cc(c1O)[N+](=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 C18H12ClFN2O6S MW 438.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN2O6S/c1-28-14-6-9(5-13(16(14)23)22(26)27)7-15-17(24)21(18(25)29-15)8-10-11(19)3-2-4-12(10)20/h2-7,23H,8H2,1H3/b15-7+InChIKey
NYLXTTGKKKHHOO-VIZOYTHASA-NSynonyms
(5E)3((2CHLORO6FLUOROPHENYL)METHYL)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(2chloro6fluorobenzyl)5(4hydroxy3methoxy5nitrobenzylidene)13thiazolidine24dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F
COc1cc(C=C2SC(=O)N(C2=O)Cc2c(F)cccc2Cl)cc(c1O)(N+)(=O)(O)
InChI=1SC18H12ClFN2O6Sc1281469(513(16(14)23)22(26)27)71517(24)21(18(25)2915)81011(19)32412(10)20h2723H8H21H3b157+
MFCD04085335
ZINC000034908996
ZINC34908996
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