Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192511
SMILES CCN1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-5-25-21(28)24-19-15-8-6-7-9-17(15)27-22(25,4)18(19)20(26)23-16-11-10-13(2)12-14(16)3/h6-12,18-19H,5H2,1-4H3,(H,23,26)(H,24,28)InChIKey
OFSKZWFLLAXZDQ-UHFFFAOYSA-NSynonyms
CCN1C(=S)NC2C(C1(OC3=CC=CC=C23)C)C(=O)NC4=C(C=C(C=C4)C)C
InChI=1SC22H25N3O2Sc152521(28)241915867917(15)2722(254)18(19)20(26)2316111013(2)1214(16)3h6121819H5H214H3(H2326)(H2428)
MFCD15086200
N(24dimethylphenyl)3ethyl2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000102732500
ZINC000245343418
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