Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[4-(benzyloxy)-3-ethoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK513900
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OCc1ccccc1
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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 C33H29N3O6 MW 563.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O6/c1-2-39-30-19-25(14-16-28(30)40-21-23-9-5-3-6-10-23)20-34-36-33(38)27(35-32(37)26-11-7-4-8-12-26)17-24-13-15-29-31(18-24)42-22-41-29/h3-20H,2,21-22H2,1H3,(H,35,37)(H,36,38)/b27-17+,34-20+InChIKey
VLYVPQUFEZDKRN-XCTFGQCESA-NSynonyms
CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1
InChI=1SC33H29N3O6c1239301925(141628(30)40212395361023)20343633(38)27(3532(37)26117481226)172413152931(1824)42224129h320H22122H21H3(H3537)(H3638)b2717+3420+
MFCD01146951
N((1E)1(13benzodioxol5yl)3((2E)2(4(benzyloxy)3ethoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((3ethoxy4phenylmethoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000097964218
ZINC102276738
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