Vitas-M small molecule compound
8-chloro-3-cyclohexyl-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
STL192539
SMILES O=C(C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1)C1CCCCC1)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 C26H30ClN3O2S MW 484.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN3O2S/c1-15-9-11-20(16(2)13-15)28-24(31)22-23-19-14-17(27)10-12-21(19)32-26(22,3)30(25(33)29-23)18-7-5-4-6-8-18/h9-14,18,22-23H,4-8H2,1-3H3,(H,28,31)(H,29,33)InChIKey
OEGXXOLJFWXUNZ-UHFFFAOYSA-NSynonyms
8chloro3cyclohexylN(24dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)Cl)OC2(N(C(=S)N3)C5CCCCC5)C)C
InChI=1SC26H30ClN3O2Sc11591120(16(2)1315)2824(31)2223191417(27)101221(19)3226(223)30(25(33)2923)187546818h914182223H48H213H3(H2831)(H2933)
MFCD22390744
ZINC000101353161
ZINC000101353163
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