Vitas-M small molecule compound

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

Catalog ID
STK072915
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cccc(c1)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-5-26-20(24)18-16(12-7-6-8-13(9-12)25-4)17-14(23)10-21(2,3)11-15(17)27-19(18)22/h6-9,16H,5,10-11,22H2,1-4H3
InChIKey
AQVKNJZIWAYEGI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N)OC2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)OC)C(=O)CC(C2)(C)C)N
ETHYL2AMINO4(3METHOXYPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBOXYLATE
ethyl2amino4(3methoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO4(3METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC21H25NO5c152620(24)1816(1276813(912)254)1714(23)1021(23)1115(17)2719(18)22h6916H5101122H214H3
MFCD00581335
STK072915
ZINC000002696491
ZINC000002696493

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Available files

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