Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-hydroxy-4-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK803333
SMILES COc1ccc(cc1O)/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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-32-21-9-8-17(12-20(21)29)14-26-28-25(31)19(27-24(30)18-5-3-2-4-6-18)11-16-7-10-22-23(13-16)34-15-33-22/h2-14,29H,15H2,1H3,(H,27,30)(H,28,31)/b19-11+,26-14+InChIKey
AEOLILNWFFPKPL-LABBUYSVSA-NSynonyms
COC1=C(C=C(C=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)O
COc1ccc(cc1O)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC25H21N3O6c132219817(1220(21)29)14262825(31)19(2724(30)185324618)11167102223(1316)34153322h21429H15H21H3(H2730)(H2831)b1911+2614+
MFCD02053203
N((1E)1(13benzodioxol5yl)3((2E)2(3hydroxy4methoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13BENZODIOXOL5YL)3((2E)2((3HYDROXY4METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
ZINC000022146737
ZINC33411197
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