Vitas-M small molecule compound
methyl 3-(1-ethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK264332
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(CC)c3c(C2c2c1cccc2)cccc3
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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 C28H23NO4 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO4/c1-3-28-20-13-6-4-11-18(20)22(19-12-5-7-14-21(19)28)23-24(28)26(31)29(25(23)30)17-10-8-9-16(15-17)27(32)33-2/h4-15,22-24H,3H2,1-2H3InChIKey
PTPQOGZOTWYFRY-UHFFFAOYSA-NSynonyms
CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(=O)OC
InChI=1SC28H23NO4c13282013641118(20)22(1912571421(19)28)2324(28)26(31)29(25(23)30)17108916(1517)27(32)332h4152224H3H212H3
methyl3(1ethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01802351
ZINC000001213403
ZINC000001213408
Check stock
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Check stock on Vitas-MAvailable files
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