Vitas-M small molecule compound
methyl 5-hydroxy-6,10-dimethoxy-2-(trifluoromethyl)-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate
Catalog ID
STL448356
SMILES COC(=O)C1SC2(CC1(O)c1c(O2)c(OC)c2c(c1OC)cco2)C(F)(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 C17H15F3O7S MW 420.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3O7S/c1-23-9-7-4-5-26-10(7)12(24-2)11-8(9)15(22)6-16(27-11,17(18,19)20)28-13(15)14(21)25-3/h4-5,13,22H,6H2,1-3H3InChIKey
MZXOFZWTZHTERB-UHFFFAOYSA-NSynonyms
452315-95-6452315956
5HYDROXY49DIMETHOXY7(TRIFLUOROMETHYL)75(EPITHIOMETHANO)67DIHYDRO5HFURO(32G)(1)BENZOPYRAN11CARBOXYLICACIDMETHYLESTER
COC1=C2C(=C(C3=C1C=CO3)OC)OC4(CC2(C(S4)C(=O)OC)O)C(F)(F)F
InChI=1SC17H15F3O7Sc12397452610(7)12(242)118(9)15(22)616(271117(1819)20)2813(15)14(21)253h451322H6H213H3
methyl5hydroxy610dimethoxy2(trifluoromethyl)45dihydro25methano(13)oxathiepino(67f)benzofuran4carboxylate
methyl5hydroxy610dimethoxy2(trifluoromethyl)45dihydro25methanofuro(32h)(13)benzoxathiepine4carboxylate
MFCD03006444
ZINC000100288487
ZINC000102808158
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