Vitas-M small molecule compound
7-ethyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid
Catalog ID
STL017944
SMILES CCc1ccc2c(c1)C(=O)OC(C2)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 C12H12O4 MW 220.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O4/c1-2-7-3-4-8-6-10(11(13)14)16-12(15)9(8)5-7/h3-5,10H,2,6H2,1H3,(H,13,14)InChIKey
AARYVTCBYSGLEG-UHFFFAOYSA-NSynonyms
951896-10-97ethyl1oxo34dihydro1Hisochromene3carboxylicacid
7ethyl1oxo34dihydroisochromene3carboxylicacid
7ETHYL1OXOISOCHROMANE3CARBOXYLICACID
951896109
CCC1=CC2=C(CC(OC2=O)C(=O)O)C=C1
InChI=1SC12H12O4c127348610(11(13)14)1612(15)9(8)57h3510H26H21H3(H1314)
MFCD09983593
ZINC000011692946
ZINC000011692947
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