Vitas-M small molecule compound

2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoic acid

Catalog ID
STK247051
SMILES CC(C(N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)O)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 C14H17NO4 MW 263.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO4/c1-6(2)11(14(18)19)15-12(16)9-7-3-4-8(5-7)10(9)13(15)17/h3-4,6-11H,5H2,1-2H3,(H,18,19)
InChIKey
VJRHTNSLYDVIAG-UHFFFAOYSA-N
Synonyms

2((3aR4R7S7aS)13dioxo3a477atetrahydro1H47methanoisoindol2(3H)yl)3methylbutanoicacid
2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)3METHYLBUTANOICACID
47METHANO2HISOINDOLE2ACETICACID133A477AHEXAHYDROA(1METHYLETHYL)13DIOXO
CC(C(N1C(=O)C2(C@@H)(C1=O)C1CC2C=C1)C(=O)O)C
CC(C)C(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C=C3
InChI=1SC14H17NO4c16(2)11(14(18)19)1512(16)97348(57)10(9)13(15)17h34611H5H212H3(H1819)
MFCD01122774
ZINC000100012477
ZINC000238937435

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Available files

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