Vitas-M small molecule compound
(2E)-N-(4-butoxy-3-chlorobenzyl)-2-(4-nitrobenzylidene)hydrazinecarbothioamide
Catalog ID
STK525356
SMILES CCCCOc1ccc(cc1Cl)CNC(=S)N/N=C/c1ccc(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 C19H21ClN4O3S MW 420.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4O3S/c1-2-3-10-27-18-9-6-15(11-17(18)20)12-21-19(28)23-22-13-14-4-7-16(8-5-14)24(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H2,21,23,28)/b22-13+InChIKey
XVXOVPHMMXPOPR-LPYMAVHISA-NSynonyms
372500-89-5(2E)N(4butoxy3chlorobenzyl)2(4nitrobenzylidene)hydrazinecarbothioamide
(E)N(4butoxy3chlorobenzyl)2(4nitrobenzylidene)hydrazinecarbothioamide
1((4BUTOXY3CHLOROPHENYL)METHYL)3((E)(4NITROPHENYL)METHYLIDENEAMINO)THIOUREA
372500895
CCCCOC1=C(C=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)(N+)(=O)(O))Cl
CCCCOc1ccc(cc1Cl)CNC(=S)NN=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H21ClN4O3Sc1231027189615(1117(18)20)122119(28)232213144716(8514)24(25)26h491113H231012H21H3(H2212328)b2213+
MFCD01902891
ZINC000002277535
ZINC33352128
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