Vitas-M small molecule compound
1-[4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STK998474
SMILES CCCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)C
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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 C27H28N2O MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O/c1-3-9-24(30)26-25(21-10-5-4-6-11-21)22-12-7-8-17-28-23(18-29(26)27(22)28)20-15-13-19(2)14-16-20/h4-6,10-11,13-16,18H,3,7-9,12,17H2,1-2H3InChIKey
MXYWNEVJKFIVRT-UHFFFAOYSA-NSynonyms
488111-24-61(1phenyl4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(4(4methylphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
488111246
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=CC=C5
InChI=1SC27H28N2Oc13924(30)2625(21105461121)221278172823(1829(26)27(22)28)20151319(2)141620h461011131618H3791217H212H3
MFCD03289189
ZINC000002401320
ZINC02401320
ZINC2401320
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