Vitas-M small molecule compound
methyl 10-methoxy-3-(2-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094741
SMILES COc1cccc2c1OC1(C)C(C2NC(=S)N1c1ccccc1OC)C(=O)OC
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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-21-16(19(24)27-4)17(12-8-7-11-15(26-3)18(12)28-21)22-20(29)23(21)13-9-5-6-10-14(13)25-2/h5-11,16-17H,1-4H3,(H,22,29)InChIKey
NXQVLDQBHQGKEL-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=CC=C4OC)C(=O)OC
InChI=1SC21H22N2O5Sc12116(19(24)274)17(12871115(263)18(12)2821)2220(29)23(21)139561014(13)252h5111617H14H3(H2229)
methyl10methoxy3(2methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788183
ZINC000226306323
ZINC000226306330
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