Vitas-M small molecule compound
5-benzyl-1-(2-carboxyethyl)-3-(2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK678923
SMILES OC(=O)CCC1(NC(C2C1C(=O)N(C2=O)Cc1ccccc1)c1ccc(cc1O)O)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 C23H22N2O8 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O8/c26-13-6-7-14(15(27)10-13)19-17-18(23(24-19,22(32)33)9-8-16(28)29)21(31)25(20(17)30)11-12-4-2-1-3-5-12/h1-7,10,17-19,24,26-27H,8-9,11H2,(H,28,29)(H,32,33)InChIKey
PMPVVVIIXMDOEB-UHFFFAOYSA-NSynonyms
5benzyl1(2carboxyethyl)3(24dihydroxyphenyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
5BENZYL3(2CARBOXYETHYL)1(24DIHYDROXYPHENYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=C(C=C(C=C4)O)O)(CCC(=O)O)C(=O)O
InChI=1SC23H22N2O8c26136714(15(27)1013)191718(23(241922(32)33)9816(28)29)21(31)25(20(17)30)11124213512h17101719242627H8911H2(H2829)(H3233)
MFCD03196050
ZINC000015275997
ZINC000245238464
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