Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192515
SMILES Cc1ccc(cc1)N1C(=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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-16-9-12-19(13-10-16)30-26(33)29-24-20-7-5-6-8-22(20)32-27(30,4)23(24)25(31)28-21-14-11-17(2)15-18(21)3/h5-15,23-24H,1-4H3,(H,28,31)(H,29,33)InChIKey
OQOCGGKOUPOCOJ-UHFFFAOYSA-NSynonyms
1024354-17-31024354173
CC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)NC5=C(C=C(C=C5)C)C
InChI=1SC27H27N3O2Sc11691219(131016)3026(33)292420756822(20)3227(304)23(24)25(31)2821141117(2)1518(21)3h5152324H14H3(H2831)(H2933)
MFCD15086002
N(24dimethylphenyl)2methyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100030816
ZINC000242592355
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