Vitas-M small molecule compound
(5E)-3-(3-nitrobenzyl)-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STK028357
SMILES COc1c(ccc(c1OC)OC)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[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 C20H18N2O7S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7S/c1-27-15-8-7-13(17(28-2)18(15)29-3)10-16-19(23)21(20(24)30-16)11-12-5-4-6-14(9-12)22(25)26/h4-10H,11H2,1-3H3/b16-10+InChIKey
RCCOKZZPFCFMGK-MHWRWJLKSA-NSynonyms
(5E)3((3NITROPHENYL)METHYL)5((234TRIMETHOXYPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(3NITROBENZYL)5(234TRIMETHOXYBENZYLIDENE)13THIAZOLIDINE24DIONE
COC1=C(C(=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OC)OC
COc1c(ccc(c1OC)OC)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N2O7Sc127158713(17(282)18(15)293)101619(23)21(20(24)3016)111254614(912)22(25)26h410H11H213H3b1610+
MFCD03141826
STK028357
ZINC000001157878
ZINC01157878
ZINC1157878
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