Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-N-{2-[(2E)-2-{4-[(4-nitrobenzyl)oxy]benzylidene}hydrazinyl]-2-oxoethyl}benzenesulfonamide (non-preferred name)
Catalog ID
STK523570
SMILES O=C(CN(S(=O)(=O)c1ccccc1)c1ccc(c(c1)Cl)C)N/N=C/c1ccc(cc1)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 C29H25ClN4O6S MW 593.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O6S/c1-21-7-12-25(17-28(21)30)33(41(38,39)27-5-3-2-4-6-27)19-29(35)32-31-18-22-10-15-26(16-11-22)40-20-23-8-13-24(14-9-23)34(36)37/h2-18H,19-20H2,1H3,(H,32,35)/b31-18+InChIKey
AXZNBOJSAIHCLF-FDAWAROLSA-NSynonyms
2(N(benzenesulfonyl)3chloro4methylanilino)N((E)(4((4nitrophenyl)methoxy)phenyl)methylideneamino)acetamide
CC1=C(C=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))S(=O)(=O)C4=CC=CC=C4)Cl
InChI=1SC29H25ClN4O6Sc12171225(1728(21)30)33(41(3839)275324627)1929(35)32311822101526(161122)40202381324(14923)34(36)37h218H1920H21H3(H3235)b3118+
MFCD00743182
N(3chloro4methylphenyl)N(2((2E)2(4((4nitrobenzyl)oxy)benzylidene)hydrazinyl)2oxoethyl)benzenesulfonamide(nonpreferredname)
O=C(CN(S(=O)(=O)c1ccccc1)c1ccc(c(c1)Cl)C)NN=Cc1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O)
ZINC000003088465
ZINC102291938
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