Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide
Catalog ID
STK431306
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1cc(Cl)ccc1OC
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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 C18H13ClN2O4 MW 356.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O4/c1-23-15-5-3-13(19)8-14(15)21-18(22)12(9-20)6-11-2-4-16-17(7-11)25-10-24-16/h2-8H,10H2,1H3,(H,21,22)/b12-6+InChIKey
JWTGAGXPEVAYNE-WUXMJOGZSA-NSynonyms
(2E)3(13benzodioxol5yl)N(5chloro2methoxyphenyl)2cyanoprop2enamide
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)N(5CHLORO2METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5CHLORO2METHOXYPHENYL)2CYANOPROP2ENAMIDE
COC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N
InChI=1SC18H13ClN2O4c123155313(19)814(15)2118(22)12(920)611241617(711)25102416h28H10H21H3(H2122)b126+
MFCD03465952
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1OC
ZINC000002743885
ZINC02743885
ZINC2743885
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