Vitas-M small molecule compound
2-(2,5-dimethylphenyl)-2-oxoethyl 4-(1-bromo-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)benzoate (non-preferred name)
Catalog ID
STK376666
SMILES Cc1ccc(c(c1)C(=O)COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)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 C35H26BrNO5 MW 620.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26BrNO5/c1-19-11-12-20(2)25(17-19)28(38)18-42-34(41)21-13-15-22(16-14-21)37-32(39)30-29-23-7-3-5-9-26(23)35(36,31(30)33(37)40)27-10-6-4-8-24(27)29/h3-17,29-31H,18H2,1-2H3InChIKey
BRLXAUGCJRYFFM-UHFFFAOYSA-NSynonyms
2(25dimethylphenyl)2oxoethyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C5C6=CC=CC=C6C(C4C3=O)(C7=CC=CC=C57)Br
InChI=1SC35H26BrNO5c119111220(2)25(1719)28(38)184234(41)21131522(161421)3732(39)302923735926(23)35(3631(30)33(37)40)271064824(27)29h3172931H18H212H3
MFCD01362244
ZINC000004178381
ZINC000004178386
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