Vitas-M small molecule compound
prop-2-en-1-yl 8-methoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094329
SMILES C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(OC)cc1)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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-4-12-27-20(25)18-19-16-13-15(26-3)10-11-17(16)28-22(18,2)24(21(29)23-19)14-8-6-5-7-9-14/h4-11,13,18-19H,1,12H2,2-3H3,(H,23,29)InChIKey
OODAULFPIFHSNS-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C=CC(=C3)OC)NC(=S)N2C4=CC=CC=C4)C(=O)OCC=C
InChI=1SC22H22N2O4Sc14122720(25)1819161315(263)101117(16)2822(182)24(21(29)2319)148657914h411131819H112H223H3(H2329)
MFCD18788111
prop2en1yl8methoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000106549918
ZINC000106549919
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