Vitas-M small molecule compound
1,8-dibromo-17-[4-(2,3-dimethylphenoxy)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
STK269342
SMILES O=C1N(c2ccc(cc2)Oc2cccc(c2C)C)C(=O)C2C1C1(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 C32H23Br2NO3 MW 629.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23Br2NO3/c1-18-8-7-13-26(19(18)2)38-21-16-14-20(15-17-21)35-29(36)27-28(30(35)37)32(34)23-10-4-3-9-22(23)31(27,33)24-11-5-6-12-25(24)32/h3-17,27-28H,1-2H3InChIKey
URITXGFPWNRHPB-UHFFFAOYSA-NSynonyms
18dibromo17(4(23dimethylphenoxy)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br)C
InChI=1SC32H23Br2NO3c118871326(19(18)2)3821161420(151721)3529(36)2728(30(35)37)32(34)231043922(23)31(2733)2411561225(24)32h3172728H12H3
MFCD01824245
ZINC000150438690
ZINC000150438705
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