Vitas-M small molecule compound
pentyl (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)acetate (non-preferred name)
Catalog ID
STK268455
SMILES CCCCCOC(=O)CN1C(=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 C25H23Br2NO4 MW 561.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Br2NO4/c1-2-3-8-13-32-19(29)14-28-22(30)20-21(23(28)31)25(27)16-10-5-4-9-15(16)24(20,26)17-11-6-7-12-18(17)25/h4-7,9-12,20-21H,2-3,8,13-14H2,1H3InChIKey
ISTYVOLFMOIYRS-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI=1SC25H23Br2NO4c1238133219(29)142822(30)2021(23(28)31)25(27)161054915(16)24(2026)1711671218(17)25h479122021H2381314H21H3
MFCD01156480
pentyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
ZINC000002068193
ZINC000002068196
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