Vitas-M small molecule compound
(2Z,5E)-5-{3-chloro-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one
Catalog ID
STL380165
SMILES CCc1ccc(cc1)/N=C/1\S/C(=C/c2cc(Cl)c(c(c2)OC)OCc2cccc(c2)[N+](=O)[O-])/C(=O)N1
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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 C26H22ClN3O5S MW 524.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O5S/c1-3-16-7-9-19(10-8-16)28-26-29-25(31)23(36-26)14-18-12-21(27)24(22(13-18)34-2)35-15-17-5-4-6-20(11-17)30(32)33/h4-14H,3,15H2,1-2H3,(H,28,29,31)/b23-14+InChIKey
MASKXNSGSHLIBF-OEAKJJBVSA-NSynonyms
(2Z5E)5(3chloro5methoxy4((3nitrobenzyl)oxy)benzylidene)2((4ethylphenyl)imino)13thiazolidin4one
(5E)5((3chloro5methoxy4((3nitrophenyl)methoxy)phenyl)methylidene)2(4ethylanilino)13thiazol4one
CCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC(=CC=C4)(N+)(=O)(O))OC)S2
CCc1ccc(cc1)N=C1SC(=Cc2cc(Cl)c(c(c2)OC)OCc2cccc(c2)(N+)(=O)(O))C(=O)N1
InChI=1SC26H22ClN3O5Sc13167919(10816)28262925(31)23(3626)14181221(27)24(22(1318)342)35151754620(1117)30(32)33h414H315H212H3(H282931)b2314+
MFCD05041945
ZINC000104230265
ZINC104230265
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