Vitas-M small molecule compound
phenyl 3-(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
STK286531
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccccc2)C(=O)C2C1C1(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 C31H19Br2NO4 MW 629.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H19Br2NO4/c32-30-21-13-4-5-14-22(21)31(33,24-16-7-6-15-23(24)30)26-25(30)27(35)34(28(26)36)19-10-8-9-18(17-19)29(37)38-20-11-2-1-3-12-20/h1-17,25-26HInChIKey
LSHHULWFEMSJET-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC31H19Br2NO4c32302113451422(21)31(332416761523(24)30)2625(30)27(35)34(28(26)36)19108918(1719)29(37)3820112131220h1172526H
MFCD03577692
phenyl3(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008451424
ZINC000008451427
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