Vitas-M small molecule compound

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

Catalog ID
STK871933
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccccc1OC)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-5-26-20(24)18-16(12-8-6-7-9-14(12)25-4)17-13(23)10-21(2,3)11-15(17)27-19(18)22/h6-9,16H,5,10-11,22H2,1-4H3
InChIKey
OJGFAIPQJFJDKP-UHFFFAOYSA-N
Synonyms
333340-99-1
333340991
CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)N
ethyl2amino4(2methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(2METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC21H25NO5c152620(24)1816(12867914(12)254)1713(23)1021(23)1115(17)2719(18)22h6916H5101122H214H3
MFCD00581334
ZINC000000634336
ZINC000003001665

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Available files

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