Vitas-M small molecule compound
3-[2-(3,4-dihydroxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL549412
SMILES NC(=O)C1C(=O)N(CCc2ccc(c(c2)O)O)C2(CC1c1ccccc1O2)C
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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/c1-21-11-14(13-4-2-3-5-17(13)28-21)18(19(22)26)20(27)23(21)9-8-12-6-7-15(24)16(25)10-12/h2-7,10,14,18,24-25H,8-9,11H2,1H3,(H2,22,26)InChIKey
BSMZHVQTOXVWQK-UHFFFAOYSA-NSynonyms
10(2(34dihydroxyphenyl)ethyl)9methyl11oxo8oxa10azatricyclo(7310^(27))trideca246triene12carboxamide
129894785
3(2(34dihydroxyphenyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(34dihydroxyphenethyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
InChI=1SC21H22N2O5c1211114(13423517(13)2821)18(19(22)26)20(27)23(21)98126715(24)16(25)1012h271014182425H8911H21H3(H22226)
MFCD31756974
ZINC000524729076
ZINC000524729077
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