Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK150819
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1C)[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 C29H22N4O7 MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O7/c1-18-13-21(33(36)37)8-10-23(18)25-12-9-22(40-25)16-30-32-29(35)24(31-28(34)20-5-3-2-4-6-20)14-19-7-11-26-27(15-19)39-17-38-26/h2-16H,17H2,1H3,(H,31,34)(H,32,35)/b24-14+,30-16+InChIKey
DXTIADPYEWGGPY-JSFVURADSA-NSynonyms
(2E)N((1E)2(5(2METHYL4NITROPHENYL)(2FURYL))1AZAVINYL)3(2HBENZO(34D)13DIOXOLAN5YL)2(PHENYLCARBONYLAMINO)PROP2ENAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5
InChI=1SC29H22N4O7c1181321(33(36)37)81023(18)2512922(4025)16303229(35)24(3128(34)205324620)14197112627(1519)39173826h216H17H21H3(H3134)(H3235)b2414+3016+
MFCD02288159
N((1E)1(13BENZODIOXOL5YL)3((2E)2((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((5(2methyl4nitrophenyl)furan2yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O)
ZINC000101626970
ZINC101626966
Check stock
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Check stock on Vitas-MAvailable files
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