Vitas-M small molecule compound
3-(5-bromo-2-hydroxyphenyl)-5-butyl-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK684357
SMILES CCCCN1C(=O)C2C(C1=O)C(NC2c1cc(Br)ccc1O)(C)C(=O)O
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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 C18H21BrN2O5 MW 425.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN2O5/c1-3-4-7-21-15(23)12-13(16(21)24)18(2,17(25)26)20-14(12)10-8-9(19)5-6-11(10)22/h5-6,8,12-14,20,22H,3-4,7H2,1-2H3,(H,25,26)InChIKey
ZFHYRRQDRMRWQZ-UHFFFAOYSA-NSynonyms
1(5BROMO2HYDROXYPHENYL)5BUTYL3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
3(5bromo2hydroxyphenyl)5butyl1methyl46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCCCN1C(=O)C2C(C1=O)C(NC2C3=C(C=CC(=C3)Br)O)(C)C(=O)O
InChI=1SC18H21BrN2O5c13472115(23)1213(16(21)24)18(217(25)26)2014(12)1089(19)5611(10)22h56812142022H347H212H3(H2526)
MFCD05260448
ZINC000012420011
ZINC000248270202
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