Vitas-M small molecule compound
1-[4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STK997154
SMILES CCCC(=O)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(cc1)F
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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 C27H27FN2O2 MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O2/c1-3-6-24(31)26-25(19-10-14-21(32-2)15-11-19)22-7-4-5-16-29-23(17-30(26)27(22)29)18-8-12-20(28)13-9-18/h8-15,17H,3-7,16H2,1-2H3InChIKey
MYXGLNJTHQOMRB-UHFFFAOYSA-NSynonyms
847272-99-51(4(4fluorophenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
847272995
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)F)C5=CC=C(C=C5)OC
InChI=1SC27H27FN2O2c13624(31)2625(19101421(322)151119)22745162923(1730(26)27(22)29)1881220(28)13918h81517H3716H212H3
MFCD04179531
ZINC000002199313
ZINC02199313
ZINC2199313
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Check stock on Vitas-MAvailable files
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