Vitas-M small molecule compound

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

Catalog ID
STL094432
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1Cl)c1ccccc1

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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 C20H18Cl2N2O3S MW 437.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O3S/c1-3-26-18(25)15-16-13-9-11(21)10-14(22)17(13)27-20(15,2)24(19(28)23-16)12-7-5-4-6-8-12/h4-10,15-16H,3H2,1-2H3,(H,23,28)
InChIKey
WGLLFPJRXZWYTO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C2C3=CC(=CC(=C3OC1(N(C(=S)N2)C4=CC=CC=C4)C)Cl)Cl
ethyl810dichloro2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H18Cl2N2O3Sc132618(25)151613911(21)1014(22)17(13)2720(152)24(19(28)2316)127546812h4101516H3H212H3(H2328)
MFCD18788146
ZINC000102906784
ZINC000102906785

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Available files

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