Vitas-M small molecule compound

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

Catalog ID
STL360866
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cccc(c1)F)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 C20H22FNO4 MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FNO4/c1-4-25-19(24)17-15(11-6-5-7-12(21)8-11)16-13(23)9-20(2,3)10-14(16)26-18(17)22/h5-8,15H,4,9-10,22H2,1-3H3
InChIKey
ZBMAAOXTLQOCEB-UHFFFAOYSA-N
Synonyms
107752-94-3
107752943
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)F)C(=O)CC(C2)(C)C)N
ETHYL2AMINO4(3FLUOROPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBOXYLATE
ethyl2amino4(3fluorophenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(3FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC20H22FNO4c142519(24)1715(1165712(21)811)1613(23)920(23)1014(16)2618(17)22h5815H491022H213H3
MFCD00486636
ZINC000000626382
ZINC000000626383
ZINC00626382

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Available files

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