Vitas-M small molecule compound
N-(4-chlorophenyl)-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141919
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1)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 C22H24ClN3O3S MW 445.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O3S/c1-22-18(20(27)24-15-10-8-14(23)9-11-15)19(16-6-3-4-7-17(16)29-22)25-21(30)26(22)12-5-13-28-2/h3-4,6-11,18-19H,5,12-13H2,1-2H3,(H,24,27)(H,25,30)InChIKey
ODTWUDNDCXXWBQ-UHFFFAOYSA-NSynonyms
CC12C(C(C3=CC=CC=C3O1)NC(=S)N2CCCOC)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC22H24ClN3O3Sc12218(20(27)241510814(23)91115)19(16634717(16)2922)2521(30)26(22)12513282h346111819H51213H212H3(H2427)(H2530)
MFCD20734732
N(4chlorophenyl)3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000226932107
ZINC000245246796
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Check stock on Vitas-MAvailable files
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