Vitas-M small molecule compound
1-[1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL000002
SMILES CCCC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccccc1
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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(21-15-13-19(2)14-16-21)22-12-7-8-17-28-23(18-29(26)27(22)28)20-10-5-4-6-11-20/h4-6,10-11,13-16,18H,3,7-9,12,17H2,1-2H3InChIKey
LGSOCSGPHCBQCI-UHFFFAOYSA-NSynonyms
500197-93-31(1(4methylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(4phenyl1(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
500197933
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)C
InChI=1SC27H28N2Oc13924(30)2625(21151319(2)141621)221278172823(1829(26)27(22)28)20105461120h461011131618H3791217H212H3
MFCD03305152
ZINC000002361304
ZINC02361304
ZINC2361304
Check stock
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Check stock on Vitas-MAvailable files
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