Vitas-M small molecule compound
8-bromo-N-(2,4-dimethylphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192506
SMILES S=C1NC2c3cc(Br)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 C20H20BrN3O2S MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S/c1-10-4-6-14(11(2)8-10)22-18(25)16-17-13-9-12(21)5-7-15(13)26-20(16,3)24-19(27)23-17/h4-9,16-17H,1-3H3,(H,22,25)(H2,23,24,27)InChIKey
RCASPLKIUAZKQF-UHFFFAOYSA-NSynonyms
1005087-52-41005087524
8bromoN(24dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)Br)OC2(NC(=S)N3)C)C
InChI=1SC20H20BrN3O2Sc1104614(11(2)810)2218(25)161713912(21)5715(13)2620(163)2419(27)2317h491617H13H3(H2225)(H2232427)
MFCD15086054
ZINC000100031272
ZINC000100031275
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