Vitas-M small molecule compound
ethyl 2-amino-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL415986
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(Br)c(c(c1)OC)OCC)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 C21H24BrNO6 MW 466.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO6/c1-4-27-19-12(22)9-11(10-15(19)26-3)16-17-13(24)7-6-8-14(17)29-20(23)18(16)21(25)28-5-2/h9-10,16H,4-8,23H2,1-3H3InChIKey
DKVRDIFJBWWXPE-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1Br)C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N)OC
ethyl2amino4(3bromo4ethoxy5methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(3bromo4ethoxy5methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC21H24BrNO6c14271912(22)911(1015(19)263)161713(24)76814(17)2920(23)18(16)21(25)2852h91016H4823H213H3
MFCD30706892
ZINC000220952546
ZINC000220952593
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