Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STK380686
SMILES COC(=O)c1ccc(cc1)/C=C(/C(=O)NC1CCCCCC1)\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 C19H22N2O3 MW 326.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3/c1-24-19(23)15-10-8-14(9-11-15)12-16(13-20)18(22)21-17-6-4-2-3-5-7-17/h8-12,17H,2-7H2,1H3,(H,21,22)/b16-12+InChIKey
KZQLJDDKZVTLTF-FOWTUZBSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2CCCCCC2
COC(=O)c1ccc(cc1)C=C(C(=O)NC1CCCCCC1)C#N
InChI=1SC19H22N2O3c12419(23)1510814(91115)1216(1320)18(22)211764235717h81217H27H21H3(H2122)b1612+
METHYL4((1E)2CYANO2(NCYCLOHEPTYLCARBAMOYL)VINYL)BENZOATE
methyl4((1E)2cyano3(cycloheptylamino)3oxoprop1en1yl)benzoate
METHYL4((E)2CYANO3(CYCLOHEPTYLAMINO)3OXOPROP1ENYL)BENZOATE
MFCD02314447
ZINC000004515064
ZINC04515064
ZINC4515064
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