Vitas-M small molecule compound
1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL001746
SMILES CCCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl
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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 C26H25ClN2O MW 416.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O/c1-2-8-23(30)25-24(19-9-4-3-5-10-19)21-11-6-7-16-28-22(17-29(25)26(21)28)18-12-14-20(27)15-13-18/h3-5,9-10,12-15,17H,2,6-8,11,16H2,1H3InChIKey
XUFKIBJGTBUJBH-UHFFFAOYSA-NSynonyms
488793-52-81(4(4chlorophenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
488793528
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI=1SC26H25ClN2Oc12823(30)2524(1994351019)211167162822(1729(25)26(21)28)18121420(27)151318h35910121517H2681116H21H3
MFCD03292607
ZINC000002341726
ZINC02341726
ZINC2341726
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