Vitas-M small molecule compound
benzyl 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
STK268607
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCc1ccccc1
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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 C32H21Br2NO4 MW 643.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21Br2NO4/c33-31-22-13-4-5-14-23(22)32(34,25-16-7-6-15-24(25)31)27-26(31)28(36)35(29(27)37)21-12-8-11-20(17-21)30(38)39-18-19-9-2-1-3-10-19/h1-17,26-27H,18H2InChIKey
VPBQZMOPBYTCEQ-UHFFFAOYSA-NSynonyms
benzyl3(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC32H21Br2NO4c33312213451423(22)32(342516761524(25)31)2726(31)28(36)35(29(27)37)211281120(1721)30(38)39181992131019h1172627H18H2
MFCD01174720
ZINC000004174911
ZINC000004174939
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