Vitas-M small molecule compound
(5Z)-5-(3-chloro-4,5-diethoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157453
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2cccc(c2)[N+](=O)[O-])cc(c1OCC)Cl
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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 C21H19ClN2O6S MW 462.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6S/c1-3-29-17-10-14(9-16(22)19(17)30-4-2)11-18-20(25)23(21(26)31-18)12-13-6-5-7-15(8-13)24(27)28/h5-11H,3-4,12H2,1-2H3/b18-11-InChIKey
XJYIYSYGKRYJTE-WQRHYEAKSA-NSynonyms
(5Z)5((3CHLORO45DIETHOXYPHENYL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
(5Z)5(3CHLORO45DIETHOXYBENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))Cl)OCC
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2cccc(c2)(N+)(=O)(O))cc(c1OCC)Cl
InChI=1SC21H19ClN2O6Sc1329171014(916(22)19(17)3042)111820(25)23(21(26)3118)121365715(813)24(27)28h511H3412H212H3b1811
MFCD03729711
ZINC000001147427
ZINC01147427
ZINC1147427
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