Vitas-M small molecule compound
1-acetyl-17-(3-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK280829
SMILES COc1cccc(c1)N1C(=O)C2C(C1=O)C1(C(=O)C)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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-15(29)27-20-12-5-3-10-18(20)22(19-11-4-6-13-21(19)27)23-24(27)26(31)28(25(23)30)16-8-7-9-17(14-16)32-2/h3-14,22-24H,1-2H3InChIKey
DAEAVKWGQROMRQ-UHFFFAOYSA-NSynonyms
1acetyl17(3methoxyphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=CC=C6)OC
InChI=1SC27H21NO4c115(29)272012531018(20)22(1911461321(19)27)2324(27)26(31)28(25(23)30)1687917(1416)322h3142224H12H3
MFCD03136509
ZINC000001174241
ZINC000001174244
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