Vitas-M small molecule compound

ethyl 2-(difluoromethyl)-6,10-dimethoxy-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate

Catalog ID
STL526536
SMILES CCOC(=O)C1SC2(CC1c1c(O2)c(OC)c2c(c1OC)cco2)C(F)F

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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 C18H18F2O6S MW 400.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F2O6S/c1-4-24-16(21)15-9-7-18(27-15,17(19)20)26-13-10(9)11(22-2)8-5-6-25-12(8)14(13)23-3/h5-6,9,15,17H,4,7H2,1-3H3
InChIKey
PZLVJWVPNIQKIN-UHFFFAOYSA-N
Synonyms

135639174
ethyl12(difluoromethyl)39dimethoxy711dioxa13thiatetracyclo(10210^(210)0^(48))pentadeca24(8)59tetraene14carboxylate
ethyl2(difluoromethyl)610dimethoxy45dihydro25methanofuro(32h)(13)benzoxathiepine4carboxylate
InChI=1SC18H18F2O6Sc142416(21)159718(271517(19)20)261310(9)11(222)8562512(8)14(13)233h5691517H47H213H3
MFCD31753813
ZINC001772492462
ZINC001772492463

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.