Vitas-M small molecule compound
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)phenyl heptanoate (non-preferred name)
Catalog ID
STK268583
SMILES CCCCCCC(=O)Oc1ccc(cc1)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 C31H27Br2NO4 MW 637.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Br2NO4/c1-2-3-4-5-14-25(35)38-20-17-15-19(16-18-20)34-28(36)26-27(29(34)37)31(33)22-11-7-6-10-21(22)30(26,32)23-12-8-9-13-24(23)31/h6-13,15-18,26-27H,2-5,14H2,1H3InChIKey
NGZUXMCZDIFIEO-UHFFFAOYSA-NSynonyms
4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylheptanoate(nonpreferredname)
CCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC31H27Br2NO4c123451425(35)3820171519(161820)3428(36)2627(29(34)37)31(33)2211761021(22)30(2632)2312891324(23)31h61315182627H2514H21H3
MFCD01174589
ZINC000008449584
ZINC000008449590
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