Vitas-M small molecule compound
(2Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK007883
SMILES N#C/C(=C/c1cc2OCOc2cc1Br)/C(=O)Nc1ccc(cc1)OC
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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 C18H13BrN2O4 MW 401.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrN2O4/c1-23-14-4-2-13(3-5-14)21-18(22)12(9-20)6-11-7-16-17(8-15(11)19)25-10-24-16/h2-8H,10H2,1H3,(H,21,22)/b12-6-InChIKey
POQZFZOFJIQSKR-SDQBBNPISA-NSynonyms
(2Z)3(6BROMO13BENZODIOXOL5YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
(Z)3(6BROMO13BENZODIOXOL5YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N
InChI=1SC18H13BrN2O4c123144213(3514)2118(22)12(920)61171617(815(11)19)25102416h28H10H21H3(H2122)b126
MFCD02298402
N#CC(=Cc1cc2OCOc2cc1Br)C(=O)Nc1ccc(cc1)OC
STK007883
ZINC000004550727
ZINC04550727
ZINC4550727
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