Vitas-M small molecule compound
17-(5-acetyl-2-methoxyphenyl)-1-methyl-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
STL387120
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1(C)c3c(C2c2c1cccc2)cccc3)C(=O)C
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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/c1-15(30)16-12-13-22(33-3)21(14-16)29-26(31)24-23-17-8-4-6-10-19(17)28(2,25(24)27(29)32)20-11-7-5-9-18(20)23/h4-14,23-25H,1-3H3InChIKey
MXFBBAZOZQMYPE-UHFFFAOYSA-NSynonyms
17(5acetyl2methoxyphenyl)1methyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C
InChI=1SC28H23NO4c115(30)16121322(333)21(1416)2926(31)2423178461019(17)28(225(24)27(29)32)201175918(20)23h4142325H13H3
MFCD02306712
ZINC000001155722
ZINC000001155725
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