Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-N-{2-[(2E)-2-{4-[(4-nitrobenzyl)oxy]benzylidene}hydrazinyl]-2-oxoethyl}benzenesulfonamide (non-preferred name)
Catalog ID
STK523564
SMILES COc1ccc(cc1N(S(=O)(=O)c1ccccc1)CC(=O)N/N=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C29H25ClN4O7S MW 609.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O7S/c1-40-28-16-11-23(30)17-27(28)33(42(38,39)26-5-3-2-4-6-26)19-29(35)32-31-18-21-9-14-25(15-10-21)41-20-22-7-12-24(13-8-22)34(36)37/h2-18H,19-20H2,1H3,(H,32,35)/b31-18+InChIKey
ISCZXIIBGVYDPA-FDAWAROLSA-NSynonyms
2(N(benzenesulfonyl)5chloro2methoxyanilino)N((E)(4((4nitrophenyl)methoxy)phenyl)methylideneamino)acetamide
COC1=C(C=C(C=C1)Cl)N(CC(=O)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))S(=O)(=O)C4=CC=CC=C4
COc1ccc(cc1N(S(=O)(=O)c1ccccc1)CC(=O)NN=Cc1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC29H25ClN4O7Sc14028161123(30)1727(28)33(42(3839)265324626)1929(35)3231182191425(151021)41202271224(13822)34(36)37h218H1920H21H3(H3235)b3118+
MFCD00746536
N(5chloro2methoxyphenyl)N(2((2E)2(4((4nitrobenzyl)oxy)benzylidene)hydrazinyl)2oxoethyl)benzenesulfonamide(nonpreferredname)
ZINC000098001499
ZINC102291895
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