Vitas-M small molecule compound
N-(4-chlorophenyl)-2,8-dimethyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166003
SMILES Cc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1)Cl)C)c1ccccc1
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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 C25H22ClN3O2S MW 463.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O2S/c1-15-8-13-20-19(14-15)22-21(23(30)27-17-11-9-16(26)10-12-17)25(2,31-20)29(24(32)28-22)18-6-4-3-5-7-18/h3-14,21-22H,1-2H3,(H,27,30)(H,28,32)InChIKey
WCZYAGRRIOZCLJ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC3(C(C2NC(=S)N3C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl)C
InChI=1SC25H22ClN3O2Sc1158132019(1415)2221(23(30)271711916(26)101217)25(23120)29(24(32)2822)186435718h3142122H12H3(H2730)(H2832)
MFCD15085952
N(4chlorophenyl)28dimethyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000002962797
ZINC000104785581
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