Vitas-M small molecule compound
17-(4-butoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid (non-preferred name)
Catalog ID
STK325721
SMILES CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)O)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 C29H25NO5 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO5/c1-2-3-16-35-18-14-12-17(13-15-18)30-26(31)24-23-19-8-4-6-10-21(19)29(28(33)34,25(24)27(30)32)22-11-7-5-9-20(22)23/h4-15,23-25H,2-3,16H2,1H3,(H,33,34)InChIKey
UIEKGCNGOSBDGF-UHFFFAOYSA-NSynonyms
359902-41-317(4butoxyphenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1carboxylicacid(nonpreferredname)
359902413
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C(=O)O
InChI=1SC29H25NO5c123163518141217(131518)3026(31)2423198461021(19)29(28(33)3425(24)27(30)32)221175920(22)23h4152325H2316H21H3(H3334)
MFCD01593954
ZINC000002750200
ZINC000002750203
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