Vitas-M small molecule compound
benzyl 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
STK268571
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCc1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H21Br2NO4 MW 643.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21Br2NO4/c33-31-22-10-4-5-11-23(22)32(34,25-13-7-6-12-24(25)31)27-26(31)28(36)35(29(27)37)21-16-14-20(15-17-21)30(38)39-18-19-8-2-1-3-9-19/h1-17,26-27H,18H2InChIKey
HGOYSQVORHGUKT-UHFFFAOYSA-NSynonyms
benzyl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC32H21Br2NO4c33312210451123(22)32(342513761224(25)31)2726(31)28(36)35(29(27)37)21161420(151721)30(38)3918198213919h1172627H18H2
MFCD01174533
ZINC000008449678
ZINC000008449682
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