Vitas-M small molecule compound
pentyl 4-(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
STK268708
SMILES CCCCCOC(=O)c1ccc(cc1)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 C30H26BrNO4 MW 544.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrNO4/c1-2-3-8-17-36-29(35)18-13-15-19(16-14-18)32-27(33)25-24-20-9-4-6-11-22(20)30(31,26(25)28(32)34)23-12-7-5-10-21(23)24/h4-7,9-16,24-26H,2-3,8,17H2,1H3InChIKey
ZZIPLWHNIOLJJL-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC30H26BrNO4c1238173629(35)18131519(161418)3227(33)2524209461122(20)30(3126(25)28(32)34)2312751021(23)24h479162426H23817H21H3
MFCD01179509
pentyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002060801
ZINC000002060804
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