Vitas-M small molecule compound
(2E)-2-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-N-ethylhydrazinecarbothioamide
Catalog ID
STL380362
SMILES CCNC(=S)N/N=C/c1ccc(c(c1)OCC)OCc1ccc(cc1)[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 C19H22N4O4S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S/c1-3-20-19(28)22-21-12-15-7-10-17(18(11-15)26-4-2)27-13-14-5-8-16(9-6-14)23(24)25/h5-12H,3-4,13H2,1-2H3,(H2,20,22,28)/b21-12+InChIKey
LOTYKXDLTODPCP-CIAFOILYSA-NSynonyms
(2E)2(3ethoxy4((4nitrobenzyl)oxy)benzylidene)Nethylhydrazinecarbothioamide
1((E)(3ethoxy4((4nitrophenyl)methoxy)phenyl)methylideneamino)3ethylthiourea
CCNC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)(N+)(=O)(O))OCC
CCNC(=S)NN=Cc1ccc(c(c1)OCC)OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H22N4O4Sc132019(28)2221121571017(18(1115)2642)2713145816(9614)23(24)25h512H3413H212H3(H2202228)b2112+
MFCD04086563
ZINC000006463142
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