Vitas-M small molecule compound
(5Z)-3-(2-chloro-6-fluorobenzyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STL379344
SMILES CCOc1cc(/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 C19H14ClFN2O6S MW 452.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN2O6S/c1-2-29-15-7-10(6-14(17(15)24)23(27)28)8-16-18(25)22(19(26)30-16)9-11-12(20)4-3-5-13(11)21/h3-8,24H,2,9H2,1H3/b16-8-InChIKey
PYSQHDWYBFNPHS-PXNMLYILSA-NSynonyms
(5Z)3((2CHLORO6FLUOROPHENYL)METHYL)5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5Z)3(2chloro6fluorobenzyl)5(3ethoxy4hydroxy5nitrobenzylidene)13thiazolidine24dione
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2c(F)cccc2Cl)cc(c1O)(N+)(=O)(O)
InChI=1SC19H14ClFN2O6Sc122915710(614(17(15)24)23(27)28)81618(25)22(19(26)3016)91112(20)43513(11)21h3824H29H21H3b168
MFCD04085337
ZINC000009232725
ZINC09232725
ZINC9232725
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