Vitas-M small molecule compound
1,8-dibromo-17-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-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
STK358877
SMILES O=C1N(C(=O)C2C1C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)c1c(C)n(n(c1=O)c1ccccc1)C
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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 C29H21Br2N3O3 MW 619.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Br2N3O3/c1-16-24(27(37)34(32(16)2)17-10-4-3-5-11-17)33-25(35)22-23(26(33)36)29(31)19-13-7-6-12-18(19)28(22,30)20-14-8-9-15-21(20)29/h3-15,22-23H,1-2H3InChIKey
AINLYUGVZWICSD-UHFFFAOYSA-NSynonyms
18dibromo17(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC29H21Br2N3O3c11624(27(37)34(32(16)2)17104351117)3325(35)2223(26(33)36)29(31)1913761218(19)28(2230)2014891521(20)29h3152223H12H3
MFCD03349652
ZINC000059211894
ZINC000059211896
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