Vitas-M small molecule compound
(5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL358223
SMILES COc1cc(/C=C\2/SC(=O)N(C2=O)Cc2ccc(cc2)[N+](=O)[O-])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 C18H13N3O8S MW 431.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O8S/c1-29-14-7-11(6-13(16(14)22)21(27)28)8-15-17(23)19(18(24)30-15)9-10-2-4-12(5-3-10)20(25)26/h2-8,22H,9H2,1H3/b15-8+InChIKey
DBAOPGDKQJDBMT-OVCLIPMQSA-NSynonyms
(5E)5((4hydroxy3methoxy5nitrophenyl)methylidene)3((4nitrophenyl)methyl)13thiazolidine24dione
(5E)5(4hydroxy3methoxy5nitrobenzylidene)3(4nitrobenzyl)13thiazolidine24dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=C2SC(=O)N(C2=O)Cc2ccc(cc2)(N+)(=O)(O))cc(c1O)(N+)(=O)(O)
InChI=1SC18H13N3O8Sc12914711(613(16(14)22)21(27)28)81517(23)19(18(24)3015)9102412(5310)20(25)26h2822H9H21H3b158+
MFCD04277723
ZINC000037342271
ZINC37342271
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