Vitas-M small molecule compound
ethyl 2-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL173565
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1ccccc1Br)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 C28H30BrNO6 MW 556.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO6/c1-5-34-27(32)25-23(24-19(31)13-28(2,3)14-22(24)36-26(25)30)16-10-11-20(33-4)17(12-16)15-35-21-9-7-6-8-18(21)29/h6-12,23H,5,13-15,30H2,1-4H3InChIKey
GAOCLLYRGMFMRC-UHFFFAOYSA-NSynonyms
445031-62-9445031629
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)CC(C2)(C)C)N
ethyl2amino4(3((2bromophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(3((2BROMOPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC28H30BrNO6c153427(32)2523(2419(31)1328(23)1422(24)3626(25)30)16101120(334)17(1216)153521976818(21)29h61223H5131530H214H3
MFCD02175707
ZINC000002105709
ZINC000002105715
ZINC02105709
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