Vitas-M small molecule compound
4-{(1E)-2-cyano-3-oxo-3-[(2,4,4-trimethylpentan-2-yl)amino]prop-1-en-1-yl}-2-ethoxyphenyl cyclopropanecarboxylate
Catalog ID
STK472816
SMILES CCOc1cc(ccc1OC(=O)C1CC1)/C=C(/C(=O)NC(CC(C)(C)C)(C)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 C24H32N2O4 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4/c1-7-29-20-13-16(8-11-19(20)30-22(28)17-9-10-17)12-18(14-25)21(27)26-24(5,6)15-23(2,3)4/h8,11-13,17H,7,9-10,15H2,1-6H3,(H,26,27)/b18-12+InChIKey
UPWRLQMJSAKOJB-LDADJPATSA-NSynonyms
(4((E)2cyano3oxo3(244trimethylpentan2ylamino)prop1enyl)2ethoxyphenyl)cyclopropanecarboxylate
4((1E)2cyano3oxo3((244trimethylpentan2yl)amino)prop1en1yl)2ethoxyphenylcyclopropanecarboxylate
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC(C)(C)CC(C)(C)C)OC(=O)C2CC2
CCOc1cc(ccc1OC(=O)C1CC1)C=C(C(=O)NC(CC(C)(C)C)(C)C)C#N
InChI=1SC24H32N2O4c1729201316(81119(20)3022(28)1791017)1218(1425)21(27)2624(56)1523(23)4h8111317H791015H216H3(H2627)b1812+
MFCD07090663
ZINC000017089279
ZINC17089279
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