Vitas-M small molecule compound
1-[1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STL003381
SMILES CCC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)C)CCCC3)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/c1-4-24(30)26-25(21-14-10-19(3)11-15-21)22-7-5-6-16-28-23(17-29(26)27(22)28)20-12-8-18(2)9-13-20/h8-15,17H,4-7,16H2,1-3H3InChIKey
PRHYDPFRRFTVAP-UHFFFAOYSA-NSynonyms
845661-61-21(14bis(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
1(14diptolyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
845661612
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C
InChI=1SC27H28N2Oc1424(30)2625(21141019(3)111521)22756162823(1729(26)27(22)28)2012818(2)91320h81517H4716H213H3
MFCD04168351
ZINC000005180233
ZINC05180233
ZINC5180233
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