Vitas-M small molecule compound
8-chloro-3-(2-chlorobenzyl)-N,N,2-trimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL124600
SMILES Clc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)N(C)C)C)Cc1ccccc1Cl
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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 C21H21Cl2N3O2S MW 450.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O2S/c1-21-17(19(27)25(2)3)18(14-10-13(22)8-9-16(14)28-21)24-20(29)26(21)11-12-6-4-5-7-15(12)23/h4-10,17-18H,11H2,1-3H3,(H,24,29)InChIKey
PWJJXGRJEATKPZ-UHFFFAOYSA-NSynonyms
8chloro3(2chlorobenzyl)NN2trimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2CC4=CC=CC=C4Cl)C(=O)N(C)C
InChI=1SC21H21Cl2N3O2Sc12117(19(27)25(2)3)18(141013(22)8916(14)2821)2420(29)26(21)1112645715(12)23h4101718H11H213H3(H2429)
MFCD20734605
ZINC000106811901
ZINC000226931396
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