Vitas-M small molecule compound
2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Catalog ID
STK281001
SMILES O=C1N(c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1C=CC2C1
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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 C16H12ClNO4 MW 317.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO4/c17-11-4-3-9(6-10(11)16(21)22)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2,(H,21,22)InChIKey
GFLFKUHYSVELRX-UHFFFAOYSA-NSynonyms
2chloro5(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoicacid
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC16H12ClNO4c1711439(610(11)16(21)22)1814(19)127128(57)13(12)15(18)20h14681213H5H2(H2122)
MFCD01240450
ZINC000100186148
ZINC000239305931
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