Vitas-M small molecule compound
2-oxo-2-phenylethyl 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
STK268442
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccccc2)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 C33H21Br2NO5 MW 671.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21Br2NO5/c34-32-22-10-4-5-11-23(22)33(35,25-13-7-6-12-24(25)32)28-27(32)29(38)36(30(28)39)21-16-14-20(15-17-21)31(40)41-18-26(37)19-8-2-1-3-9-19/h1-17,27-28H,18H2InChIKey
HKOSHZUXRDVYRG-UHFFFAOYSA-NSynonyms
2oxo2phenylethyl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC33H21Br2NO5c34322210451123(22)33(352513761224(25)32)2827(32)29(38)36(30(28)39)21161420(151721)31(40)411826(37)198213919h1172728H18H2
MFCD01156458
ZINC000008449407
ZINC000008449410
ZINC08449407
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