Vitas-M small molecule compound
4-[(1E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 2,4-dichlorobenzoate
Catalog ID
STK473300
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)/C=C(/C(=O)NC1CC1)\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 C22H18Cl2N2O4 MW 445.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N2O4/c1-2-29-20-10-13(9-14(12-25)21(27)26-16-5-6-16)3-8-19(20)30-22(28)17-7-4-15(23)11-18(17)24/h3-4,7-11,16H,2,5-6H2,1H3,(H,26,27)/b14-9+InChIKey
OXKHDXAHRSZSFF-NTEUORMPSA-NSynonyms
(4((E)2cyano3(cyclopropylamino)3oxoprop1enyl)2ethoxyphenyl)24dichlorobenzoate
4((1E)2CYANO2(NCYCLOPROPYLCARBAMOYL)VINYL)2ETHOXYPHENYL24DICHLOROBENZOATE
4((1E)2cyano3(cyclopropylamino)3oxoprop1en1yl)2ethoxyphenyl24dichlorobenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CC2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C=C(C(=O)NC1CC1)C#N
InChI=1SC22H18Cl2N2O4c1229201013(914(1225)21(27)26165616)3819(20)3022(28)177415(23)1118(17)24h3471116H256H21H3(H2627)b149+
MFCD07090425
ZINC000019642760
ZINC19642760
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