Vitas-M small molecule compound
(2E,5E)-2-[(4-ethylphenyl)imino]-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-1,3-thiazolidin-4-one
Catalog ID
STL380162
SMILES CCc1ccc(cc1)/N=C/1\NC(=O)/C(=C\c2cc(cc(c2O)OC)[N+](=O)[O-])/S1
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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 C19H17N3O5S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5S/c1-3-11-4-6-13(7-5-11)20-19-21-18(24)16(28-19)9-12-8-14(22(25)26)10-15(27-2)17(12)23/h4-10,23H,3H2,1-2H3,(H,20,21,24)/b16-9+InChIKey
PKYVKLCGDTUYNR-CXUHLZMHSA-NSynonyms
(2E5E)2((4ethylphenyl)imino)5(2hydroxy3methoxy5nitrobenzylidene)13thiazolidin4one
(5E)2(4ethylanilino)5((2hydroxy3methoxy5nitrophenyl)methylidene)13thiazol4one
CCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=CC(=C3O)OC)(N+)(=O)(O))S2
CCc1ccc(cc1)N=C1NC(=O)C(=Cc2cc(cc(c2O)OC)(N+)(=O)(O))S1
InChI=1SC19H17N3O5Sc13114613(7511)20192118(24)16(2819)912814(22(25)26)1015(272)17(12)23h41023H3H212H3(H202124)b169+
MFCD05041939
ZINC000016161394
ZINC16161394
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