Vitas-M small molecule compound
heptyl 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
STK268467
SMILES CCCCCCCOC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(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 C32H29Br2NO4 MW 651.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29Br2NO4/c1-2-3-4-5-10-18-39-30(38)20-12-11-13-21(19-20)35-28(36)26-27(29(35)37)32(34)23-15-7-6-14-22(23)31(26,33)24-16-8-9-17-25(24)32/h6-9,11-17,19,26-27H,2-5,10,18H2,1H3InChIKey
PUTPYDJKEOPBPP-UHFFFAOYSA-NSynonyms
CCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
heptyl3(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC32H29Br2NO4c1234510183930(38)2012111321(1920)3528(36)2627(29(35)37)32(34)2315761422(23)31(2633)2416891725(24)32h691117192627H251018H21H3
MFCD01156498
ZINC000008449515
ZINC000008449529
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