Vitas-M small molecule compound

8-chloro-N-(4-chlorophenyl)-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide

Catalog ID
STL166023
SMILES Clc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1)Cl)C)c1cccc(c1)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 C25H21Cl2N3O2S MW 498.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O2S/c1-14-4-3-5-18(12-14)30-24(33)29-22-19-13-16(27)8-11-20(19)32-25(30,2)21(22)23(31)28-17-9-6-15(26)7-10-17/h3-13,21-22H,1-2H3,(H,28,31)(H,29,33)
InChIKey
DTVHVQJJLFMEDV-UHFFFAOYSA-N
Synonyms
1024115-46-5
1024115465
8chloroN(4chlorophenyl)2methyl3(3methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=C3C=C(C=C4)Cl)C)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC25H21Cl2N3O2Sc11443518(1214)3024(33)2922191316(27)81120(19)3225(302)21(22)23(31)28179615(26)71017h3132122H12H3(H2831)(H2933)
MFCD15085933
ZINC000100030166
ZINC000242464052

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Available files

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