Vitas-M small molecule compound
1-(hydroxymethyl)-17-(2-propoxyphenyl)-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
STK000066
SMILES CCCOc1ccccc1N1C(=O)C2C(C1=O)C1(CO)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 C28H25NO4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4/c1-2-15-33-22-14-8-7-13-21(22)29-26(31)24-23-17-9-3-5-11-19(17)28(16-30,25(24)27(29)32)20-12-6-4-10-18(20)23/h3-14,23-25,30H,2,15-16H2,1H3InChIKey
VXSBNGLXOPVRRZ-UHFFFAOYSA-NSynonyms
1(hydroxymethyl)17(2propoxyphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCCOC1=CC=CC=C1N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)CO
CCCOc1ccccc1N1C(=O)C2C(C1=O)C1(CO)c3c(C2c2c1cccc2)cccc3
InChI=1SC28H25NO4c1215332214871321(22)2926(31)2423179351119(17)28(163025(24)27(29)32)2012641018(20)23h314232530H21516H21H3
MFCD01070707
STK000066
ZINC000006500909
ZINC000006500918
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