Vitas-M small molecule compound
(2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enamide
Catalog ID
STK185229
SMILES C#CCOc1c(I)cc(cc1OCC)/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 C22H18ClIN2O3 MW 520.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClIN2O3/c1-4-9-29-21-18(24)11-15(12-20(21)28-5-2)10-16(13-25)22(27)26-19-8-6-7-17(23)14(19)3/h1,6-8,10-12H,5,9H2,2-3H3,(H,26,27)/b16-10+InChIKey
KRDKAJPXGVATDC-MHWRWJLKSA-NSynonyms
(2E)N(3CHLORO2METHYLPHENYL)2CYANO3(3ETHOXY5IODO4(PROP2YN1YLOXY)PHENYL)PROP2ENAMIDE
(E)N(3chloro2methylphenyl)2cyano3(3ethoxy5iodo4prop2ynoxyphenyl)prop2enamide
C#CCOc1c(I)cc(cc1OCC)C=C(C(=O)Nc1cccc(c1C)Cl)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)C)I)OCC#C
InChI=1SC22H18ClIN2O3c149292118(24)1115(1220(21)2852)1016(1325)22(27)261986717(23)14(19)3h1681012H59H223H3(H2627)b1610+
MFCD03729358
ZINC000097960757
ZINC97960757
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