Vitas-M small molecule compound
N-{2-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (non-preferred name)
Catalog ID
STK709090
SMILES COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)CNC(=O)C1COc2c(O1)cccc2
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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 C19H18N4O7 MW 414.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O7/c1-28-14-7-6-12(8-13(14)23(26)27)9-21-22-18(24)10-20-19(25)17-11-29-15-4-2-3-5-16(15)30-17/h2-9,17H,10-11H2,1H3,(H,20,25)(H,22,24)/b21-9+InChIKey
PCIFCVSBLZZYFL-ZVBGSRNCSA-NSynonyms
(Z)N(2(2(4methoxy3nitrobenzylidene)hydrazinyl)2oxoethyl)23dihydrobenzo(b)(14)dioxine2carboxamide
COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)C2COC3=CC=CC=C3O2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=NNC(=O)CNC(=O)C1COc2c(O1)cccc2
InChI=1SC19H18N4O7c128147612(813(14)23(26)27)9212218(24)102019(25)17112915423516(15)3017h2917H1011H21H3(H2025)(H2224)b219+
MFCD13371380
N(2((2E)2((4methoxy3nitrophenyl)methylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine3carboxamide
N(2((2E)2(4methoxy3nitrobenzylidene)hydrazinyl)2oxoethyl)23dihydro14benzodioxine2carboxamide(nonpreferredname)
ZINC000015899687
ZINC000015899689
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