Vitas-M small molecule compound
1-bromo-17-[4-(4-methylphenoxy)phenyl]-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
STK268930
SMILES Cc1ccc(cc1)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)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 C31H22BrNO3 MW 536.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22BrNO3/c1-18-10-14-20(15-11-18)36-21-16-12-19(13-17-21)33-29(34)27-26-22-6-2-4-8-24(22)31(32,28(27)30(33)35)25-9-5-3-7-23(25)26/h2-17,26-28H,1H3InChIKey
MGKWDSITYWLQOY-UHFFFAOYSA-NSynonyms
1bromo17(4(4methylphenoxy)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4C5C6=CC=CC=C6C(C4C3=O)(C7=CC=CC=C57)Br
InChI=1SC31H22BrNO3c118101420(151118)3621161219(131721)3329(34)272622624824(22)31(3228(27)30(33)35)25953723(25)26h2172628H1H3
MFCD01543198
ZINC000002062499
ZINC000002062502
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