Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
Catalog ID
STK180903
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1ccc(cc1)C
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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 C18H13ClN2O3 MW 340.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O3/c1-11-2-4-14(5-3-11)21-18(22)13(9-20)6-12-7-16-17(8-15(12)19)24-10-23-16/h2-8H,10H2,1H3,(H,21,22)/b13-6+InChIKey
HZHXDNHLHLTJLZ-AWNIVKPZSA-NSynonyms
(2E)3(6CHLORO13BENZODIOXOL5YL)2CYANON(4METHYLPHENYL)PROP2ENAMIDE
(E)3(6CHLORO13BENZODIOXOL5YL)2CYANON(4METHYLPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC18H13ClN2O3c1112414(5311)2118(22)13(920)61271617(815(12)19)24102316h28H10H21H3(H2122)b136+
MFCD03204979
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)Nc1ccc(cc1)C
ZINC000001095522
ZINC01095522
ZINC1095522
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