Vitas-M small molecule compound

ethyl 8,10-dichloro-2-methyl-3-(4-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate

Catalog ID
STL092838
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1Cl)c1ccc(cc1)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 C21H20Cl2N2O3S MW 451.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O3S/c1-4-27-19(26)16-17-14-9-12(22)10-15(23)18(14)28-21(16,3)25(20(29)24-17)13-7-5-11(2)6-8-13/h5-10,16-17H,4H2,1-3H3,(H,24,29)
InChIKey
YVBDUGVAVLZOOR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C2C3=CC(=CC(=C3OC1(N(C(=S)N2)C4=CC=C(C=C4)C)C)Cl)Cl
ethyl810dichloro2methyl3(4methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H20Cl2N2O3Sc142719(26)161714912(22)1015(23)18(14)2821(163)25(20(29)2417)137511(2)6813h5101617H4H213H3(H2429)
MFCD15085851
ZINC000100029632
ZINC000100029634

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Available files

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