Vitas-M small molecule compound
1-[4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STK998625
SMILES CCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC
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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 C26H26N2O2 MW 398.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O2/c1-3-23(29)25-24(19-9-5-4-6-10-19)21-11-7-8-16-27-22(17-28(25)26(21)27)18-12-14-20(30-2)15-13-18/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3InChIKey
JMKHKYWVGCCJLB-UHFFFAOYSA-NSynonyms
845652-84-81(4(4methoxyphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
845652848
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI=1SC26H26N2O2c1323(29)2524(1995461019)211178162722(1728(25)26(21)27)18121420(302)151318h46910121517H3781116H212H3
MFCD03267863
ZINC000002415568
ZINC02415568
ZINC2415568
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.