Vitas-M small molecule compound
ethyl 8,10-dichloro-3-(2,3-dimethylphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094431
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1Cl)c1cccc(c1C)C
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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 C22H22Cl2N2O3S MW 465.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O3S/c1-5-28-20(27)17-18-14-9-13(23)10-15(24)19(14)29-22(17,4)26(21(30)25-18)16-8-6-7-11(2)12(16)3/h6-10,17-18H,5H2,1-4H3,(H,25,30)InChIKey
HPZYSCSRCJYSQA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=CC(=CC(=C3OC1(N(C(=S)N2)C4=CC=CC(=C4C)C)C)Cl)Cl
ethyl810dichloro3(23dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H22Cl2N2O3Sc152820(27)171814913(23)1015(24)19(14)2922(174)26(21(30)2518)1686711(2)12(16)3h6101718H5H214H3(H2530)
MFCD15085860
ZINC000100029653
ZINC000100029656
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