Vitas-M small molecule compound

methyl 5-hydroxy-6,10-dimethoxy-2-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate

Catalog ID
STL440313
SMILES COc1c2occc2c(c2c1OC1(SC(C2(C1)O)C(=O)OC)C(C(F)F)(F)F)OC

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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 C18H16F4O7S MW 452.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F4O7S/c1-25-9-7-4-5-28-10(7)12(26-2)11-8(9)16(24)6-17(29-11,18(21,22)15(19)20)30-13(16)14(23)27-3/h4-5,13,15,24H,6H2,1-3H3
InChIKey
OTAIEPLHRUNSNY-UHFFFAOYSA-N
Synonyms

COC1=C2C(=C(C3=C1C=CO3)OC)OC4(CC2(C(S4)C(=O)OC)O)C(C(F)F)(F)F
InChI=1SC18H16F4O7Sc12597452810(7)12(262)118(9)16(24)617(291118(2122)15(19)20)3013(16)14(23)273h45131524H6H213H3
methyl5hydroxy610dimethoxy2(1122tetrafluoroethyl)45dihydro25methanofuro(32h)(13)benzoxathiepine4carboxylate
MFCD06242293
ZINC000100404796
ZINC000229779672

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Available files

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