Vitas-M small molecule compound

butyl 1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate

Catalog ID
STK867495
SMILES CCCCOC(=O)C1OC(=O)c2c(C1)cccc2

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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 C14H16O4 MW 248.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16O4/c1-2-3-8-17-14(16)12-9-10-6-4-5-7-11(10)13(15)18-12/h4-7,12H,2-3,8-9H2,1H3
InChIKey
SOACZEKLCAOMDI-UHFFFAOYSA-N
Synonyms
499209-44-8
499209448
BUTYL(3R)1OXO34DIHYDRO1HISOCHROMENE3CARBOXYLATE
butyl1oxo34dihydro1Hisochromene3carboxylate
BUTYL1OXO34DIHYDROISOCHROMENE3CARBOXYLATE
butyl1oxoisochroman3carboxylate
BUTYL1OXOISOCHROMANE3CARBOXYLATE
CCCCOC(=O)C1CC2=CC=CC=C2C(=O)O1
InChI=1SC14H16O4c12381714(16)12910645711(10)13(15)1812h4712H2389H21H3
MFCD03131808
ZINC000001816348
ZINC000001816349

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Available files

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