Vitas-M small molecule compound
3-(3-chlorophenyl)-N-(4-chlorophenyl)-2,8-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166011
SMILES Cc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1)Cl)C)c1cccc(c1)Cl
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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/c1-14-6-11-20-19(12-14)22-21(23(31)28-17-9-7-15(26)8-10-17)25(2,32-20)30(24(33)29-22)18-5-3-4-16(27)13-18/h3-13,21-22H,1-2H3,(H,28,31)(H,29,33)InChIKey
ZTABINYHHIZHAV-UHFFFAOYSA-NSynonyms
1024292-04-31024292043
3(3chlorophenyl)N(4chlorophenyl)28dimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC2=C(C=C1)OC3(C(C2NC(=S)N3C4=CC(=CC=C4)Cl)C(=O)NC5=CC=C(C=C5)Cl)C
InChI=1SC25H21Cl2N3O2Sc1146112019(1214)2221(23(31)28179715(26)81017)25(23220)30(24(33)2922)1853416(27)1318h3132122H12H3(H2831)(H2933)
MFCD15085956
ZINC000002962801
ZINC000216177750
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