Vitas-M small molecule compound
N-(1-{(2E)-2-[4-(benzyloxy)-3-nitrobenzylidene]hydrazinyl}-3-methyl-1-oxobutan-2-yl)-1,3-benzodioxole-5-carboxamide (non-preferred name)
Catalog ID
STK105727
SMILES CC(C(C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1)NC(=O)c1ccc2c(c1)OCO2)C
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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 C27H26N4O7 MW 518.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O7/c1-17(2)25(29-26(32)20-9-11-23-24(13-20)38-16-37-23)27(33)30-28-14-19-8-10-22(21(12-19)31(34)35)36-15-18-6-4-3-5-7-18/h3-14,17,25H,15-16H2,1-2H3,(H,29,32)(H,30,33)/b28-14+InChIKey
BUNBLIWQGMYAKY-CCVNUDIWSA-NSynonyms
CC(C(C(=O)NN=Cc1ccc(c(c1)(N+)(=O)(O))OCc1ccccc1)NC(=O)c1ccc2c(c1)OCO2)C
CC(C)C(C(=O)NN=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)(N+)(=O)(O))NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC27H26N4O7c117(2)25(2926(32)209112324(1320)38163723)27(33)3028141981022(21(1219)31(34)35)3615186435718h3141725H1516H212H3(H2932)(H3033)b2814+
MFCD04084693
N(1((2E)2(4(BENZYLOXY)3NITROBENZYLIDENE)HYDRAZINYL)3METHYL1OXOBUTAN2YL)13BENZODIOXOLE5CARBOXAMIDE(NONPREFERREDNAME)
N(3methyl1((2E)2((3nitro4phenylmethoxyphenyl)methylidene)hydrazinyl)1oxobutan2yl)13benzodioxole5carboxamide
ZINC000002057388
ZINC000002057390
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