Vitas-M small molecule compound
methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK957487
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COCC(F)(F)F)OC)C(=O)CCC2
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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 C21H22F3NO6 MW 441.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO6/c1-28-14-7-6-11(8-12(14)9-30-10-21(22,23)24)16-17-13(26)4-3-5-15(17)31-19(25)18(16)20(27)29-2/h6-8,16H,3-5,9-10,25H2,1-2H3InChIKey
FSYDCLPOYCBQJE-UHFFFAOYSA-NSynonyms
352681-87-9352681879
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)COCC(F)(F)F
InChI=1SC21H22F3NO6c128147611(812(14)9301021(2223)24)161713(26)43515(17)3119(25)18(16)20(27)292h6816H3591025H212H3
methyl2amino4(4methoxy3((222trifluoroethoxy)methyl)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
methyl2amino4(4methoxy3(222trifluoroethoxymethyl)phenyl)5oxo4678tetrahydrochromene3carboxylate
MFCD01449397
ZINC000002740582
ZINC000002740583
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