Vitas-M small molecule compound
ethyl 2-amino-4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL174313
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1ccc(cc1Cl)F)OC)C(=O)CC(C2)(C)C
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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 C28H29ClFNO6 MW 529.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClFNO6/c1-5-35-27(33)25-23(24-19(32)12-28(2,3)13-22(24)37-26(25)31)15-6-8-20(34-4)16(10-15)14-36-21-9-7-17(30)11-18(21)29/h6-11,23H,5,12-14,31H2,1-4H3InChIKey
NAAMGPQBKPTQHD-UHFFFAOYSA-NSynonyms
445237-83-2445237832
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)CC(C2)(C)C)N
ethyl2amino4(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(3((2CHLORO4FLUOROPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC28H29ClFNO6c153527(33)2523(2419(32)1228(23)1322(24)3726(25)31)156820(344)16(1015)1436219717(30)1118(21)29h61123H5121431H214H3
MFCD02609267
ZINC000002108679
ZINC000002108683
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