Vitas-M small molecule compound
methyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Catalog ID
STK785779
SMILES COC(=O)c1c(C)[nH]c(c1O)c1ccc2c(c1)OCCO2
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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 C15H15NO5 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO5/c1-8-12(15(18)19-2)14(17)13(16-8)9-3-4-10-11(7-9)21-6-5-20-10/h3-4,7,16-17H,5-6H2,1-2H3InChIKey
LXTQHZYBYVSGJA-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(N1)C2=CC3=C(C=C2)OCCO3)O)C(=O)OC
COC(=O)c1c(C)(nH)c(c1O)c1ccc2c(c1)OCCO2
InChI=1SC15H15NO5c1812(15(18)192)14(17)13(168)9341011(79)21652010h3471617H56H212H3
methyl5(23dihydro14benzodioxin6yl)4hydroxy2methyl1Hpyrrole3carboxylate
METHYL5(2H3HBENZO(E)14DIOXIN6YL)4HYDROXY2METHYLPYRROLE3CARBOXYLATE
MFCD07800666
ZINC000006667841
ZINC06667841
ZINC6667841
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