Vitas-M small molecule compound
2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Catalog ID
STK286259
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1ccc(c(c1)C(=O)O)Cl
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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 C16H14ClNO4 MW 319.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO4/c1-8-3-2-4-10-13(8)15(20)18(14(10)19)9-5-6-12(17)11(7-9)16(21)22/h2-3,5-8,10,13H,4H2,1H3,(H,21,22)InChIKey
RBSLAGQYLSMPCD-UHFFFAOYSA-NSynonyms
1005107-80-11005107801
2CHLORO5((3AR4S7AS)4METHYL13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOICACID
2chloro5(4methyl13dioxo133a477ahexahydro2Hisoindol2yl)benzoicacid
2chloro5(4methyl13dioxo3a477atetrahydro1Hisoindol2(3H)yl)benzoicacid
2CHLORO5(4METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOICACID
CC1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC16H14ClNO4c183241013(8)15(20)18(14(10)19)95612(17)11(79)16(21)22h23581013H4H21H3(H2122)
MFCD03350405
ZINC000004903141
ZINC000239184840
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