Vitas-M small molecule compound

4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

Catalog ID
STK278120
SMILES OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)CC(=C(C2)C)C

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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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-9-7-13-14(8-10(9)2)16(20)18(15(13)19)12-5-3-11(4-6-12)17(21)22/h3-6,13-14H,7-8H2,1-2H3,(H,21,22)
InChIKey
UHXWHRNGFPWGBE-UHFFFAOYSA-N
Synonyms

4(56dimethyl13dioxo133a477ahexahydro2Hisoindol2yl)benzoicacid
4(56dimethyl13dioxo3a477atetrahydroisoindol2yl)benzoicacid
CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C
InChI=1SC17H17NO4c1971314(810(9)2)16(20)18(15(13)19)125311(4612)17(21)22h361314H78H212H3(H2122)
MFCD02601819
ZINC000018149132
ZINC000102526817

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Available files

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