Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192551
SMILES CCOc1cccc2c1OC1(C)NC(=S)NC2C1C(=O)Nc1ccc(cc1C)C
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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-5-27-16-8-6-7-14-18-17(22(4,28-19(14)16)25-21(29)24-18)20(26)23-15-10-9-12(2)11-13(15)3/h6-11,17-18H,5H2,1-4H3,(H,23,26)(H2,24,25,29)InChIKey
HHEOIQRQOLQBNH-UHFFFAOYSA-NSynonyms
1005264-87-81005264878
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3)C(=O)NC4=C(C=C(C=C4)C)C)C
InChI=1SC22H25N3O3Sc152716867141817(22(42819(14)16)2521(29)2418)20(26)231510912(2)1113(15)3h6111718H5H214H3(H2326)(H2242529)
MFCD15086034
N(24dimethylphenyl)10ethoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031082
ZINC000100031086
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