Vitas-M small molecule compound
17-(5-acetyl-2-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
STL387128
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1c3c(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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-14(29)15-11-12-21(32-2)20(13-15)28-26(30)24-22-16-7-3-4-8-17(16)23(25(24)27(28)31)19-10-6-5-9-18(19)22/h3-13,22-25H,1-2H3InChIKey
XSZVXTRGPMJYLA-UHFFFAOYSA-NSynonyms
17(5acetyl2methoxyphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC27H21NO4c114(29)15111221(322)20(1315)2826(30)242216734817(16)23(25(24)27(28)31)191065918(19)22h3132225H12H3
MFCD02641531
ZINC000001155872
ZINC000017093548
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