Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192864
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-21-11-15(14-9-12(19(24)26-2)3-5-16(14)29-21)22-20(25)23(21)13-4-6-17-18(10-13)28-8-7-27-17/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,22,25)InChIKey
HWSWTPXTKDMFHE-UHFFFAOYSA-NSynonyms
899986-80-2899986802
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=CC5=C(C=C4)OCCO5
InChI=1SC21H20N2O6c1211115(14912(19(24)262)3516(14)2921)2220(25)23(21)13461718(1013)28872717h3691015H7811H212H3(H2225)
methyl3(23dihydro14benzodioxin6yl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650991
ZINC000004852894
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