Vitas-M small molecule compound
8-methoxy-N,N,2-trimethyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192569
SMILES COc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)N(C)C)C)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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-21-17(19(25)23(2)3)18(15-12-14(26-4)10-11-16(15)27-21)22-20(28)24(21)13-8-6-5-7-9-13/h5-12,17-18H,1-4H3,(H,22,28)InChIKey
MTQHCJGIUKKEKL-UHFFFAOYSA-NSynonyms
1005264-10-71005264107
8methoxyNN2trimethyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)OC)NC(=S)N2C4=CC=CC=C4)C(=O)N(C)C
InChI=1SC21H23N3O3Sc12117(19(25)23(2)3)18(151214(264)101116(15)2721)2220(28)24(21)138657913h5121718H14H3(H2228)
MFCD15086098
ZINC000002963056
ZINC000004598604
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