Vitas-M small molecule compound

methyl 2-amino-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STK788736
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccccc1F)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 C19H20FNO4 MW 345.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20FNO4/c1-19(2)8-12(22)15-13(9-19)25-17(21)16(18(23)24-3)14(15)10-6-4-5-7-11(10)20/h4-7,14H,8-9,21H2,1-3H3
InChIKey
FUEIPQMJCLUJET-UHFFFAOYSA-N
Synonyms
312271-47-9
312271479
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=CC=C3F)C(=O)C1)C
InChI=1SC19H20FNO4c119(2)812(22)1513(919)2517(21)16(18(23)243)14(15)10645711(10)20h4714H8921H213H3
METHYL2AMINO4(2FLUOROPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBOXYLATE
methyl2amino4(2fluorophenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(2FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD00582247
ZINC000000062220
ZINC000002500705
ZINC00062220
ZINC02500705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.