Vitas-M small molecule compound
5-butyl-3-(2-hydroxyphenyl)-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK680191
SMILES CCCCN1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(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 C18H22N2O5 MW 346.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5/c1-3-4-9-20-15(22)12-13(16(20)23)18(2,17(24)25)19-14(12)10-7-5-6-8-11(10)21/h5-8,12-14,19,21H,3-4,9H2,1-2H3,(H,24,25)InChIKey
CKKSMJUTOODXSR-UHFFFAOYSA-NSynonyms
5BUTYL1(2HYDROXYPHENYL)3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
5BUTYL1(2HYDROXYPHENYL)3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5butyl3(2hydroxyphenyl)1methyl46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCCCN1C(=O)C2C(C1=O)C((NH2+)C2C3=CC=CC=C3O)(C)C(=O)(O)
InChI=1SC18H22N2O5c13492015(22)1213(16(20)23)18(217(24)25)1914(12)10756811(10)21h5812141921H349H212H3(H2425)
MFCD03766881
ZINC000019848802
ZINC000245254838
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