Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(2,4-dimethoxy-5-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK752994
SMILES COc1cc(OC)c(cc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)[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 C26H22N4O8 MW 518.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O8/c1-35-22-13-23(36-2)20(30(33)34)12-18(22)14-27-29-26(32)19(28-25(31)17-6-4-3-5-7-17)10-16-8-9-21-24(11-16)38-15-37-21/h3-14H,15H2,1-2H3,(H,28,31)(H,29,32)/b19-10+,27-14+InChIKey
VRDTXUWGJPYZPR-QXFNRMSRSA-NSynonyms
COC1=CC(=C(C=C1C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)(N+)(=O)(O))OC
COc1cc(OC)c(cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC26H22N4O8c135221323(362)20(30(33)34)1218(22)14272926(32)19(2825(31)176435717)1016892124(1116)38153721h314H15H212H3(H2831)(H2932)b1910+2714+
MFCD00822197
N((1E)1(13benzodioxol5yl)3((2E)2(24dimethoxy5nitrobenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((24dimethoxy5nitrophenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000012418110
ZINC33553315
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