Vitas-M small molecule compound
3-(5-bromo-2-hydroxyphenyl)-5-(3-carboxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STL124663
SMILES OC(=O)C1NC(C2C1C(=O)N(C2=O)c1cccc(c1)C(=O)O)c1cc(Br)ccc1O
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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 C20H15BrN2O7 MW 475.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O7/c21-9-4-5-12(24)11(7-9)15-13-14(16(22-15)20(29)30)18(26)23(17(13)25)10-3-1-2-8(6-10)19(27)28/h1-7,13-16,22,24H,(H,27,28)(H,29,30)InChIKey
SLTORHKXXXSKNZ-UHFFFAOYSA-NSynonyms
1(5bromo2hydroxyphenyl)5(3carboxyphenyl)46dioxo233a6atetrahydro1Hpyrrolo(34c)pyrrole3carboxylicacid
3(5bromo2hydroxyphenyl)5(3carboxyphenyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
C1=CC(=CC(=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)C(=O)O)C(=O)O
InChI=1SC20H15BrN2O7c2194512(24)11(79)151314(16(2215)20(29)30)18(26)23(17(13)25)103128(610)19(27)28h1713162224H(H2728)(H2930)
MFCD20735589
ZINC000106811999
ZINC000245247240
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