Vitas-M small molecule compound

3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

Catalog ID
STK677446
SMILES O=C1N(c2ccccc2)C(=O)C2C1C(NC2(C)C(=O)O)c1ccccc1O

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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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-20(19(26)27)15-14(16(21-20)12-9-5-6-10-13(12)23)17(24)22(18(15)25)11-7-3-2-4-8-11/h2-10,14-16,21,23H,1H3,(H,26,27)
InChIKey
VULKDOXPKPVHAO-UHFFFAOYSA-N
Synonyms
496923-35-4
(1R3S3aR6aS)3(2hydroxyphenyl)1methyl46dioxo5phenyloctahydropyrrolo(34c)pyrrole1carboxylicacid
1(2HYDROXYPHENYL)3METHYL46DIOXO5PHENYL123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
3(2hydroxyphenyl)1methyl46dioxo5phenyloctahydropyrrolo(34c)pyrrole1carboxylicacid
3(2HYDROXYPHENYL)1METHYL46DIOXO5PHENYLTETRAHYDROPYRROLO(34C)PYRROLE1CARBOXYLICACID
46DIOXO3(2HYDROXYPHENYL)1METHYL5PHENYLOCTAHYDROPYRROLO(34C)PYRROLE1CARBOXYLICACID
496923354
CC1(C2C(C(N1)C3=CC=CC=C3O)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)O
InChI=1SC20H18N2O5c120(19(26)27)1514(16(2120)129561013(12)23)17(24)22(18(15)25)117324811h21014162123H1H3(H2627)
MFCD02853149
O=C1N(c2ccccc2)C(=O)(C@H)2(C@@H)1(C@H)(N(C@@)2(C)C(=O)O)c1ccccc1O
ZINC000014987392
ZINC000242688598

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.