Vitas-M small molecule compound
1-[4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL002739
SMILES CCCC(=O)c1c(c2ccc(cc2)C)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 C27H26Cl2N2O MW 465.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2O/c1-3-6-24(32)26-25(18-10-8-17(2)9-11-18)20-7-4-5-14-30-23(16-31(26)27(20)30)19-12-13-21(28)22(29)15-19/h8-13,15-16H,3-7,14H2,1-2H3InChIKey
HKYJMZQMBZRADU-UHFFFAOYSA-NSynonyms
847163-71-71(4(34dichlorophenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(4(34dichlorophenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
847163717
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)C
InChI=1SC27H26Cl2N2Oc13624(32)2625(1810817(2)91118)20745143023(1631(26)27(20)30)19121321(28)22(29)1519h8131516H3714H212H3
MFCD04183178
ZINC000009159563
ZINC09159563
ZINC9159563
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