Vitas-M small molecule compound

ethyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STL174680
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cccc(c1)Br)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(24-20(31)13-28(2,3)14-22(24)36-26(25)30)16-9-10-21(33-4)17(11-16)15-35-19-8-6-7-18(29)12-19/h6-12,23H,5,13-15,30H2,1-4H3
InChIKey
PLMOUZGSXLWMOV-UHFFFAOYSA-N
Synonyms
438613-12-8
438613128
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)N
ethyl2amino4(3((3bromophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(3((3BROMOPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC28H30BrNO6c153427(32)2523(2420(31)1328(23)1422(24)3626(25)30)1691021(334)17(1116)15351986718(29)1219h61223H5131530H214H3
MFCD02604640
ZINC000002726829
ZINC000002726830

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Available files

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