Vitas-M small molecule compound

1-[1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one

Catalog ID
STK997504
SMILES CCCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccccc1

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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(19-12-14-20(27)15-13-19)21-11-6-7-16-28-22(17-29(25)26(21)28)18-9-4-3-5-10-18/h3-5,9-10,12-15,17H,2,6-8,11,16H2,1H3
InChIKey
PLICJUGSEFUGCU-UHFFFAOYSA-N
Synonyms
500277-65-6
1(1(4chlorophenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
500277656
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI=1SC26H25ClN2Oc12823(30)2524(19121420(27)151319)211167162822(1729(25)26(21)28)1894351018h35910121517H2681116H21H3
MFCD03305230
ZINC000002362303
ZINC02362303
ZINC2362303

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Available files

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