Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2,8-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192529
SMILES S=C1NC2c3cc(C)ccc3OC(N1)(C2C(=O)Nc1ccc(cc1C)C)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-11-5-7-15(13(3)9-11)22-19(25)17-18-14-10-12(2)6-8-16(14)26-21(17,4)24-20(27)23-18/h5-10,17-18H,1-4H3,(H,22,25)(H2,23,24,27)InChIKey
HFSMKRDADMRIGN-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)C)OC2(NC(=S)N3)C)C
InChI=1SC21H23N3O2Sc1115715(13(3)911)2219(25)1718141012(2)6816(14)2621(174)2420(27)2318h5101718H14H3(H2225)(H2232427)
MFCD15086062
N(24dimethylphenyl)28dimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031342
ZINC000100031343
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