Vitas-M small molecule compound
1-[1-(4-chlorophenyl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL004221
SMILES CCCC(=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 C26H24ClFN2O MW 434.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClFN2O/c1-2-5-23(31)25-24(18-7-11-19(27)12-8-18)21-6-3-4-15-29-22(16-30(25)26(21)29)17-9-13-20(28)14-10-17/h7-14,16H,2-6,15H2,1H3InChIKey
GUBXHMDQIISAQX-UHFFFAOYSA-NSynonyms
848687-58-11(1(4chlorophenyl)4(4fluorophenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
848687581
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl
InChI=1SC26H24ClFN2Oc12523(31)2524(1871119(27)12818)21634152922(1630(25)26(21)29)1791320(28)141017h71416H2615H21H3
MFCD04192156
ZINC000002427572
ZINC02427572
ZINC2427572
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