Vitas-M small molecule compound

2-methylpropyl 4-(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
STK268446
SMILES CC(COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)C

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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/c1-16(2)15-36-27(35)17-11-13-18(14-12-17)32-25(33)23-24(26(32)34)29(31)20-8-4-3-7-19(20)28(23,30)21-9-5-6-10-22(21)29/h3-14,16,23-24H,15H2,1-2H3
InChIKey
LTHHHKXZEFAQCJ-UHFFFAOYSA-N
Synonyms

2methylpropyl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC(C)COC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC29H23Br2NO4c116(2)153627(35)17111318(141217)3225(33)2324(26(32)34)29(31)20843719(20)28(2330)219561022(21)29h314162324H15H212H3
MFCD01156471
ZINC000004157487
ZINC000004157491
ZINC04157491

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Available files

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