Vitas-M small molecule compound
ethyl 10-methoxy-2-methyl-4-oxo-3-phenyl-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094327
SMILES CCOC(=O)C1C2NC(=O)N(C1(C)Oc1c2cccc1OC)c1ccccc1
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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-4-27-19(24)16-17-14-11-8-12-15(26-3)18(14)28-21(16,2)23(20(25)22-17)13-9-6-5-7-10-13/h5-12,16-17H,4H2,1-3H3,(H,22,25)InChIKey
QVGUCSVNIQZLJS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C(=CC=C3)OC)OC1(N(C(=O)N2)C4=CC=CC=C4)C
ethyl10methoxy2methyl4oxo3phenyl3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H22N2O5c142719(24)1617141181215(263)18(14)2821(162)23(20(25)2217)1396571013h5121617H4H213H3(H2225)
MFCD18788109
ZINC000100034374
ZINC000100034378
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