Vitas-M small molecule compound
ethyl 2-methyl-3-(2-phenylethyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092837
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)CCc1ccccc1
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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 C22H24N2O3S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S/c1-3-26-20(25)18-19-16-11-7-8-12-17(16)27-22(18,2)24(21(28)23-19)14-13-15-9-5-4-6-10-15/h4-12,18-19H,3,13-14H2,1-2H3,(H,23,28)InChIKey
KOTIDPZFACJUIJ-UHFFFAOYSA-NSynonyms
1005038-65-21005038652
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)CCC4=CC=CC=C4)C
ethyl2methyl3(2phenylethyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H24N2O3Sc132620(25)18191611781217(16)2722(182)24(21(28)2319)14131595461015h4121819H31314H212H3(H2328)
MFCD15085887
ZINC000100030115
ZINC000100030118
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