Vitas-M small molecule compound
1-[4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STL005776
SMILES CCCC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC
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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 C27H28N2O2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2/c1-3-9-24(30)26-25(20-10-5-4-6-11-20)22-12-7-8-17-28-23(18-29(26)27(22)28)19-13-15-21(31-2)16-14-19/h4-6,10-11,13-16,18H,3,7-9,12,17H2,1-2H3InChIKey
BZQBDMYBKPYAOT-UHFFFAOYSA-NSynonyms
844836-22-21(4(4methoxyphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
844836222
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI=1SC27H28N2O2c13924(30)2625(20105461120)221278172823(1829(26)27(22)28)19131521(312)161419h461011131618H3791217H212H3
MFCD03266818
ZINC000002410677
ZINC02410677
ZINC2410677
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Check stock on Vitas-MAvailable files
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