Vitas-M small molecule compound
methyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate
Catalog ID
STL440312
SMILES COC(=O)C1SC2(CC1(O)c1c(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 C17H16F2O7S MW 402.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F2O7S/c1-22-9-7-4-5-25-10(7)12(23-2)11-8(9)16(21)6-17(26-11,15(18)19)27-13(16)14(20)24-3/h4-5,13,15,21H,6H2,1-3H3InChIKey
QPGBDFOJDNQWAO-UHFFFAOYSA-NSynonyms
410DIMETHOXY5HYDROXY8(DIFLUOROMETHYL)58METHANO56DIHYDRO8H19DIOXA7THIACYCLOHEPTA(F)INDENE6CARBOXYLICACIDMETHYLESTER
COC1=C2C(=C(C3=C1C=CO3)OC)OC4(CC2(C(S4)C(=O)OC)O)C(F)F
InChI=1SC17H16F2O7Sc12297452510(7)12(232)118(9)16(21)617(261115(18)19)2713(16)14(20)243h45131521H6H213H3
methyl2(difluoromethyl)5hydroxy610dimethoxy45dihydro25methanofuro(32h)(13)benzoxathiepine4carboxylate
MFCD06242292
ZINC000101383605
ZINC000103407979
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