Vitas-M small molecule compound
1-[4-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL004624
SMILES CCCC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)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 C27H27ClN2O MW 430.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O/c1-3-6-24(31)26-25(20-10-8-18(2)9-11-20)22-7-4-5-16-29-23(17-30(26)27(22)29)19-12-14-21(28)15-13-19/h8-15,17H,3-7,16H2,1-2H3InChIKey
PBUSJNIVZMAKRV-UHFFFAOYSA-NSynonyms
500144-00-31(4(4chlorophenyl)1(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(4(4chlorophenyl)1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
500144003
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C
InChI=1SC27H27ClN2Oc13624(31)2625(2010818(2)91120)22745162923(1730(26)27(22)29)19121421(28)151319h81517H3716H212H3
ZINC13803860
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