Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
Catalog ID
STK431442
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1ccccc1OC
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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/c1-23-15-5-3-2-4-14(15)21-18(22)12(9-20)6-11-7-16-17(8-13(11)19)25-10-24-16/h2-8H,10H2,1H3,(H,21,22)/b12-6+InChIKey
PMJSSEMQRFTXKY-WUXMJOGZSA-NSynonyms
(2E)3(6CHLORO(2HBENZO(D)13DIOXOLAN5YL))2CYANON(2METHOXYPHENYL)PROP2ENAMIDE
(2E)3(6chloro13benzodioxol5yl)2cyanoN(2methoxyphenyl)prop2enamide
(E)3(6CHLORO13BENZODIOXOL5YL)2CYANON(2METHOXYPHENYL)PROP2ENAMIDE
COC1=CC=CC=C1NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC18H13ClN2O4c12315532414(15)2118(22)12(920)61171617(813(11)19)25102416h28H10H21H3(H2122)b126+
MFCD03466134
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)Nc1ccccc1OC
ZINC000002744186
ZINC02744186
ZINC2744186
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