Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-chloro-4-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK514060
SMILES COc1ccc(cc1Cl)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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/c1-32-21-9-8-17(11-19(21)26)14-27-29-25(31)20(28-24(30)18-5-3-2-4-6-18)12-16-7-10-22-23(13-16)34-15-33-22/h2-14H,15H2,1H3,(H,28,30)(H,29,31)/b20-12+,27-14+InChIKey
JWAILXHOPDZFIP-MNXJUHOTSA-NSynonyms
COC1=C(C=C(C=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)Cl
COc1ccc(cc1Cl)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC25H20ClN3O5c132219817(1119(21)26)14272925(31)20(2824(30)185324618)12167102223(1316)34153322h214H15H21H3(H2830)(H2931)b2012+2714+
MFCD00774307
N((1E)1(13benzodioxol5yl)3((2E)2(3chloro4methoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13BENZODIOXOL5YL)3((2E)2((3CHLORO4METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
ZINC000015724205
ZINC33411179
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