Vitas-M small molecule compound
(2E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[3,5-dichloro-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Catalog ID
STK185248
SMILES C#CCOc1c(Cl)cc(cc1Cl)/C=C(/C(=O)Nc1ccc(c(c1)Cl)C)\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 C20H13Cl3N2O2 MW 419.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl3N2O2/c1-3-6-27-19-17(22)8-13(9-18(19)23)7-14(11-24)20(26)25-15-5-4-12(2)16(21)10-15/h1,4-5,7-10H,6H2,2H3,(H,25,26)/b14-7+InChIKey
JMEIVHGCFJUYNX-VGOFMYFVSA-NSynonyms
(2E)N(3CHLORO4METHYLPHENYL)2CYANO3(35DICHLORO4(PROP2YN1YLOXY)PHENYL)PROP2ENAMIDE
(E)N(3chloro4methylphenyl)2cyano3(35dichloro4prop2ynoxyphenyl)prop2enamide
C#CCOc1c(Cl)cc(cc1Cl)C=C(C(=O)Nc1ccc(c(c1)Cl)C)C#N
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC#C)Cl)C#N)Cl
InChI=1SC20H13Cl3N2O2c136271917(22)813(918(19)23)714(1124)20(26)25155412(2)16(21)1015h145710H6H22H3(H2526)b147+
MFCD03729378
ZINC000009907210
ZINC09907210
ZINC9907210
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