Vitas-M small molecule compound
(5E)-3-ethyl-5-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK016705
SMILES CCN1C(=S)S/C(=C/c2cc(ccc2OCCOc2ccccc2OC)[N+](=O)[O-])/C1=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 C21H20N2O6S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S2/c1-3-22-20(24)19(31-21(22)30)13-14-12-15(23(25)26)8-9-16(14)28-10-11-29-18-7-5-4-6-17(18)27-2/h4-9,12-13H,3,10-11H2,1-2H3/b19-13+InChIKey
CGBRYYDRVGYKPS-CPNJWEJPSA-NSynonyms
(5E)3ETHYL5((2(2(2METHOXYPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3ETHYL5(2(2(2METHOXYPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC=CC=C3OC)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2ccccc2OC)(N+)(=O)(O))C1=O
InChI=1SC21H20N2O6S2c132220(24)19(3121(22)30)13141215(23(25)26)8916(14)2810112918754617(18)272h491213H31011H212H3b1913+
MFCD02121184
STK016705
ZINC000006470476
ZINC06470476
ZINC6470476
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