Vitas-M small molecule compound
ethyl 8-bromo-2-methyl-3-(2-phenylethyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092827
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)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 C22H23BrN2O3S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O3S/c1-3-27-20(26)18-19-16-13-15(23)9-10-17(16)28-22(18,2)25(21(29)24-19)12-11-14-7-5-4-6-8-14/h4-10,13,18-19H,3,11-12H2,1-2H3,(H,24,29)InChIKey
BZCIYEZCJVMLRM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)CCC4=CC=CC=C4)C
ethyl8bromo2methyl3(2phenylethyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H23BrN2O3Sc132720(26)1819161315(23)91017(16)2822(182)25(21(29)2419)1211147546814h410131819H31112H212H3(H2429)
MFCD15085888
ZINC000100030107
ZINC000100030110
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