Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-bromo-4,5-dimethoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK031574
SMILES COc1c(Br)cc(cc1OC)/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 C26H22BrN3O6 MW 552.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN3O6/c1-33-23-13-17(10-19(27)24(23)34-2)14-28-30-26(32)20(29-25(31)18-6-4-3-5-7-18)11-16-8-9-21-22(12-16)36-15-35-21/h3-14H,15H2,1-2H3,(H,29,31)(H,30,32)/b20-11+,28-14+InChIKey
NZWDGBZVRJHEJK-UVPVUANZSA-NSynonyms
COC1=C(C(=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)Br)OC
COc1c(Br)cc(cc1OC)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC26H22BrN3O6c133231317(1019(27)24(23)342)14283026(32)20(2925(31)186435718)1116892122(1216)36153521h314H15H212H3(H2931)(H3032)b2011+2814+
MFCD01146911
N((1E)1(13BENZODIOXOL5YL)3((2E)2(3BROMO45DIMETHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((3bromo45dimethoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK031574
ZINC000097958171
ZINC101415688
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