Vitas-M small molecule compound
1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STL002330
SMILES CCC(=O)c1c(c2ccc(cc2)F)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)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 C25H21Cl2FN2O MW 455.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2FN2O/c1-2-22(31)24-23(15-6-9-17(28)10-7-15)18-5-3-4-12-29-21(14-30(24)25(18)29)16-8-11-19(26)20(27)13-16/h6-11,13-14H,2-5,12H2,1H3InChIKey
DNLJANNCKNYJMX-UHFFFAOYSA-NSynonyms
846590-29-21(4(34dichlorophenyl)1(4fluorophenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
846590292
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F
InChI=1SC25H21Cl2FN2Oc1222(31)2423(156917(28)10715)18534122921(1430(24)25(18)29)1681119(26)20(27)1316h6111314H2512H21H3
MFCD04175750
ZINC000013770468
ZINC13770468
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