Vitas-M small molecule compound
butyl (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
STK268452
SMILES CCCCOC(=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 C24H21Br2NO4 MW 547.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21Br2NO4/c1-2-3-12-31-18(28)13-27-21(29)19-20(22(27)30)24(26)15-9-5-4-8-14(15)23(19,25)16-10-6-7-11-17(16)24/h4-11,19-20H,2-3,12-13H2,1H3InChIKey
XTEADFAYUDVTLI-UHFFFAOYSA-NSynonyms
butyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CCCCOC(=O)CN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI=1SC24H21Br2NO4c123123118(28)132721(29)1920(22(27)30)24(26)15954814(15)23(1925)1610671117(16)24h4111920H231213H21H3
MFCD01156477
ZINC000002068181
ZINC000002068184
ZINC02068184
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