Vitas-M small molecule compound

butyl 2-(1,8-dibromo-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
STK268440
SMILES CCCCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)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 C29H23Br2NO4 MW 609.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23Br2NO4/c1-2-3-16-36-27(35)17-10-4-9-15-22(17)32-25(33)23-24(26(32)34)29(31)19-12-6-5-11-18(19)28(23,30)20-13-7-8-14-21(20)29/h4-15,23-24H,2-3,16H2,1H3
InChIKey
WYDJLICQFDFLSN-UHFFFAOYSA-N
Synonyms

butyl2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC29H23Br2NO4c123163627(35)1710491522(17)3225(33)2324(26(32)34)29(31)1912651118(19)28(2330)2013781421(20)29h4152324H2316H21H3
MFCD01156455
ZINC000004157475
ZINC000004157480

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Available files

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