Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(5-chloro-2-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK748489
SMILES COc1ccc(cc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)Cl
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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 C25H20ClN3O5 MW 477.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O5/c1-32-21-10-8-19(26)13-18(21)14-27-29-25(31)20(28-24(30)17-5-3-2-4-6-17)11-16-7-9-22-23(12-16)34-15-33-22/h2-14H,15H2,1H3,(H,28,30)(H,29,31)/b20-11+,27-14+InChIKey
CTVJVHGQAKXHFY-ACNNEDIFSA-NSynonyms
COC1=C(C=C(C=C1)Cl)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4
COc1ccc(cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)Cl
InChI=1SC25H20ClN3O5c1322110819(26)1318(21)14272925(31)20(2824(30)175324617)1116792223(1216)34153322h214H15H21H3(H2830)(H2931)b2011+2714+
MFCD00734749
N((1E)1(13BENZODIOXOL5YL)3((2E)2(5CHLORO2METHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((5chloro2methoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000014922060
ZINC102786124
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