Vitas-M small molecule compound
8-chloro-N-(4-chlorophenyl)-3-(2-methoxyethyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166006
SMILES COCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Cl)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 C21H21Cl2N3O3S MW 466.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O3S/c1-21-17(19(27)24-14-6-3-12(22)4-7-14)18(25-20(30)26(21)9-10-28-2)15-11-13(23)5-8-16(15)29-21/h3-8,11,17-18H,9-10H2,1-2H3,(H,24,27)(H,25,30)InChIKey
WDANGJAGXLTGMZ-UHFFFAOYSA-NSynonyms
8chloroN(4chlorophenyl)3(2methoxyethyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2CCOC)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC21H21Cl2N3O3Sc12117(19(27)24146312(22)4714)18(2520(30)26(21)910282)151113(23)5816(15)2921h38111718H910H212H3(H2427)(H2530)
MFCD20734723
ZINC000226927563
ZINC000245253974
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