Vitas-M small molecule compound
1-[1-(4-chlorophenyl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STL002135
SMILES CCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F
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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 C25H22ClFN2O MW 420.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O/c1-2-22(30)24-23(17-6-10-18(26)11-7-17)20-5-3-4-14-28-21(15-29(24)25(20)28)16-8-12-19(27)13-9-16/h6-13,15H,2-5,14H2,1H3InChIKey
VADIBCYHXAWAKM-UHFFFAOYSA-NSynonyms
847335-98-21(1(4chlorophenyl)4(4fluorophenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
847335982
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl
InChI=1SC25H22ClFN2Oc1222(30)2423(1761018(26)11717)20534142821(1529(24)25(20)28)1681219(27)13916h61315H2514H21H3
MFCD04179596
ZINC000002199438
ZINC02199438
ZINC2199438
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