Vitas-M small molecule compound
(2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Catalog ID
STK185226
SMILES CCOc1cc(ccc1OCC#C)/C=C(/C(=O)Nc1cccc(c1C)Cl)\C#N
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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 C22H19ClN2O3 MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O3/c1-4-11-28-20-10-9-16(13-21(20)27-5-2)12-17(14-24)22(26)25-19-8-6-7-18(23)15(19)3/h1,6-10,12-13H,5,11H2,2-3H3,(H,25,26)/b17-12+InChIKey
ONQZGWKMDISTAW-SFQUDFHCSA-NSynonyms
(2E)N(3CHLORO2METHYLPHENYL)2CYANO3(3ETHOXY4(PROP2YN1YLOXY)PHENYL)PROP2ENAMIDE
(E)N(3CHLORO2METHYLPHENYL)2CYANO3(3ETHOXY4PROP2YNOXYPHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C(C(=O)Nc1cccc(c1C)Cl)C#N
InChI=1SC22H19ClN2O3c1411282010916(1321(20)2752)1217(1424)22(26)251986718(23)15(19)3h16101213H511H223H3(H2526)b1712+
MFCD03729355
ZINC000004723461
ZINC04723461
ZINC4723461
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