Vitas-M small molecule compound
1-[4-(3,4-dichlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STL000739
SMILES CCC(=O)c1c(c2ccccc2)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 C25H22Cl2N2O MW 437.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N2O/c1-2-22(30)24-23(16-8-4-3-5-9-16)18-10-6-7-13-28-21(15-29(24)25(18)28)17-11-12-19(26)20(27)14-17/h3-5,8-9,11-12,14-15H,2,6-7,10,13H2,1H3InChIKey
NVBZUWURANPDHI-UHFFFAOYSA-NSynonyms
847247-81-81(4(34dichlorophenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
847247818
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
InChI=1SC25H22Cl2N2Oc1222(30)2423(168435916)181067132821(1529(24)25(18)28)17111219(26)20(27)1417h358911121415H2671013H21H3
MFCD04174904
ZINC000002448801
ZINC02448801
ZINC2448801
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