Vitas-M small molecule compound
1-[4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STK998997
SMILES CCC(=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 C25H23ClN2O MW 402.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O/c1-2-22(29)24-23(18-8-4-3-5-9-18)20-10-6-7-15-27-21(16-28(24)25(20)27)17-11-13-19(26)14-12-17/h3-5,8-9,11-14,16H,2,6-7,10,15H2,1H3InChIKey
BHNWZRKRLIMKGR-UHFFFAOYSA-NSynonyms
488122-62-91(4(4chlorophenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
488122629
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI=1SC25H23ClN2Oc1222(29)2423(188435918)201067152721(1628(24)25(20)27)17111319(26)141217h3589111416H2671015H21H3
MFCD03289539
ZINC000002424999
ZINC02424999
ZINC2424999
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