Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 3-(1-bromo-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
STK268689
SMILES COc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)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 C34H24BrNO6 MW 622.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24BrNO6/c1-41-22-15-13-19(14-16-22)27(37)18-42-33(40)20-7-6-8-21(17-20)36-31(38)29-28-23-9-2-4-11-25(23)34(35,30(29)32(36)39)26-12-5-3-10-24(26)28/h2-17,28-30H,18H2,1H3InChIKey
KTFYORYCBVUOGO-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C6=CC=CC=C6C(C4C3=O)(C7=CC=CC=C57)Br
InChI=1SC34H24BrNO6c14122151319(141622)27(37)184233(40)2076821(1720)3631(38)2928239241125(23)34(3530(29)32(36)39)2612531024(26)28h2172830H18H21H3
MFCD01174910
ZINC000004176226
ZINC000004176245
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