Vitas-M small molecule compound
2-oxo-2-phenylethyl 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)-3-methylbutanoate (non-preferred name)
Catalog ID
STK268461
SMILES CC(C(N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)C(=O)OCC(=O)c1ccccc1)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 C31H25Br2NO5 MW 651.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Br2NO5/c1-17(2)26(29(38)39-16-23(35)18-10-4-3-5-11-18)34-27(36)24-25(28(34)37)31(33)20-13-7-6-12-19(20)30(24,32)21-14-8-9-15-22(21)31/h3-15,17,24-26H,16H2,1-2H3InChIKey
YWRZZEVYCQQDCR-UHFFFAOYSA-NSynonyms
2oxo2phenylethyl2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3methylbutanoate(nonpreferredname)
CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC31H25Br2NO5c117(2)26(29(38)391623(35)18104351118)3427(36)2425(28(34)37)31(33)2013761219(20)30(2432)2114891522(21)31h315172426H16H212H3
MFCD01156488
ZINC000008449417
ZINC000239434011
ZINC08449420
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