Vitas-M small molecule compound

butyl 3-(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
STK286006
SMILES CCCCOC(=O)c1cccc(c1)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/c1-2-3-15-34-29(33)17-9-8-10-18(16-17)30-27(31)25-23-19-11-4-5-12-20(19)24(26(25)28(30)32)22-14-7-6-13-21(22)23/h4-14,16,23-26H,2-3,15H2,1H3
InChIKey
WFNHZXINFWDCFZ-UHFFFAOYSA-N
Synonyms

butyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC29H25NO4c123153429(33)17981018(1617)3027(31)25231911451220(19)24(26(25)28(30)32)2214761321(22)23h414162326H2315H21H3
MFCD00320927
ZINC000002027569
ZINC000018155424

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.