Vitas-M small molecule compound
ethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK093680
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cccc(c1)[N+](=O)[O-])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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c1-4-27-19(24)17-15(11-6-5-7-12(8-11)22(25)26)16-13(23)9-20(2,3)10-14(16)28-18(17)21/h5-8,15H,4,9-10,21H2,1-3H3InChIKey
CSKWEEXHBKWIOP-UHFFFAOYSA-NSynonyms
144036-26-0144036260
CCOC(=O)C1=C(N)OC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)(C)C)N
ethyl2amino77dimethyl4(3nitrophenyl)5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO77DIMETHYL4(3NITROPHENYL)5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC20H22N2O6c142719(24)1715(1165712(811)22(25)26)1613(23)920(23)1014(16)2818(17)21h5815H491021H213H3
MFCD00486641
STK093680
ZINC000002276698
ZINC000002276699
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