Vitas-M small molecule compound
(5E)-3-(4-nitrobenzyl)-5-(2,4,6-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STL358199
SMILES COc1cc(OC)cc(c1/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-])OC
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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 C20H18N2O7S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7S/c1-27-14-8-16(28-2)15(17(9-14)29-3)10-18-19(23)21(20(24)30-18)11-12-4-6-13(7-5-12)22(25)26/h4-10H,11H2,1-3H3/b18-10+InChIKey
VVFKNFLMUABGSB-VCHYOVAHSA-NSynonyms
(5E)3((4NITROPHENYL)METHYL)5((246TRIMETHOXYPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(4nitrobenzyl)5(246trimethoxybenzylidene)13thiazolidine24dione
COC1=CC(=C(C(=C1)OC)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)(N+)(=O)(O))OC
COc1cc(OC)cc(c1C=C1SC(=O)N(C1=O)Cc1ccc(cc1)(N+)(=O)(O))OC
InChI=1SC20H18N2O7Sc12714816(282)15(17(914)293)101819(23)21(20(24)3018)11124613(7512)22(25)26h410H11H213H3b1810+
MFCD04085579
ZINC000001416603
ZINC01416603
ZINC1416603
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