Vitas-M small molecule compound

3-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoic acid

Catalog ID
STK011745
SMILES OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O

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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 C16H13NO6 MW 315.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO6/c18-7-16-5-4-10(23-16)11-12(16)14(20)17(13(11)19)9-3-1-2-8(6-9)15(21)22/h1-6,10-12,18H,7H2,(H,21,22)
InChIKey
RTOIUVQMNQZCCM-UHFFFAOYSA-N
Synonyms

3(4(HYDROXYMETHYL)13DIOXO133A477AHEXAHYDRO2H47EPOXYISOINDOL2YL)BENZOICACID
3(7(hydroxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoicacid
C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO)C(=O)O
InChI=1SC16H13NO6c187165410(2316)1112(16)14(20)17(13(11)19)93128(69)15(21)22h16101218H7H2(H2122)
MFCD00750687
OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O
STK011745
ZINC000101115711
ZINC000239403325

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Available files

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