Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK150812
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/C=C/c1cccc(c1)[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 C26H20N4O6 MW 484.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O6/c31-25(20-8-2-1-3-9-20)28-22(15-19-11-12-23-24(16-19)36-17-35-23)26(32)29-27-13-5-7-18-6-4-10-21(14-18)30(33)34/h1-16H,17H2,(H,28,31)(H,29,32)/b7-5+,22-15+,27-13+InChIKey
CYNKMMBMMLPNOE-JGICEENCSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC=CC3=CC(=CC=C3)(N+)(=O)(O))NC(=O)C4=CC=CC=C4
InChI=1SC26H20N4O6c3125(208213920)2822(151911122324(1619)36173523)26(32)2927135718641021(1418)30(33)34h116H17H2(H2831)(H2932)b75+2215+2713+
MFCD08674791
N((1E)1(13BENZODIOXOL5YL)3((2E)2((2E)3(3NITROPHENYL)PROP2EN1YLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((E)3(3nitrophenyl)prop2enylidene)hydrazinyl)3oxoprop1en2yl)benzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=CC=Cc1cccc(c1)(N+)(=O)(O)
ZINC000009720539
ZINC33631345
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