Vitas-M small molecule compound
butyl 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK267634
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(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 C29H25NO4 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO4/c1-2-3-16-34-29(33)17-12-14-18(15-13-17)30-27(31)25-23-19-8-4-5-9-20(19)24(26(25)28(30)32)22-11-7-6-10-21(22)23/h4-15,23-26H,2-3,16H2,1H3InChIKey
WNBROYDSJOOPSX-UHFFFAOYSA-NSynonyms
butyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC29H25NO4c123163429(33)17121418(151317)3027(31)252319845920(19)24(26(25)28(30)32)2211761021(22)23h4152326H2316H21H3
MFCD00320910
ZINC000002027933
ZINC000018246837
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