Vitas-M small molecule compound
1,8-dibromo-17-[2-(3,4-dimethoxyphenyl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK673589
SMILES COc1cc(CCN2C(=O)C3C(C2=O)C2(Br)c4c(C3(Br)c3c2cccc3)cccc4)ccc1OC
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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 C28H23Br2NO4 MW 597.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23Br2NO4/c1-34-21-12-11-16(15-22(21)35-2)13-14-31-25(32)23-24(26(31)33)28(30)18-8-4-3-7-17(18)27(23,29)19-9-5-6-10-20(19)28/h3-12,15,23-24H,13-14H2,1-2H3InChIKey
ZDBDENICRMGGKC-UHFFFAOYSA-NSynonyms
(11S15R)910dibromo13(34dimethoxyphenethyl)1115dihydro9H910(34)epipyrroloanthracene1214(10H13H)dione
18dibromo17(2(34dimethoxyphenyl)ethyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=C(C=C(C=C1)CCN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br)OC
InChI=1SC28H23Br2NO4c13421121116(1522(21)352)13143125(32)2324(26(31)33)28(30)18843717(18)27(2329)199561020(19)28h312152324H1314H212H3
MFCD01049361
ZINC000001868073
ZINC000001868076
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