Vitas-M small molecule compound
5-(3-carboxyphenyl)-3-(5-hexyl-2,4-dihydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STL193019
SMILES CCCCCCc1cc(c(cc1O)O)C1NC(C2C1C(=O)N(C2=O)c1cccc(c1)C(=O)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 C26H28N2O8 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O8/c1-2-3-4-5-7-13-11-16(18(30)12-17(13)29)21-19-20(22(27-21)26(35)36)24(32)28(23(19)31)15-9-6-8-14(10-15)25(33)34/h6,8-12,19-22,27,29-30H,2-5,7H2,1H3,(H,33,34)(H,35,36)InChIKey
QESMCFWVHNUTFE-UHFFFAOYSA-NSynonyms
5(3carboxyphenyl)1(5hexyl24dihydroxyphenyl)46dioxo233a6atetrahydro1Hpyrrolo(34c)pyrrole3carboxylicacid
5(3carboxyphenyl)3(5hexyl24dihydroxyphenyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCCCCCC1=C(C=C(C(=C1)C2C3C(C(N2)C(=O)O)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)O)O
InChI=1SC26H28N2O8c123457131116(18(30)1217(13)29)211920(22(2721)26(35)36)24(32)28(23(19)31)1596814(1015)25(33)34h68121922272930H257H21H3(H3334)(H3536)
MFCD22390846
ZINC000106937989
ZINC000248196486
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