Vitas-M small molecule compound

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

Catalog ID
STK524577
SMILES COCCOC(=O)C1=C(N)OC2=C(C1c1ccc(cc1)[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 C21H24N2O7 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O7/c1-21(2)10-14(24)17-15(11-21)30-19(22)18(20(25)29-9-8-28-3)16(17)12-4-6-13(7-5-12)23(26)27/h4-7,16H,8-11,22H2,1-3H3
InChIKey
QBDFOXIHJMVELJ-UHFFFAOYSA-N
Synonyms
302553-76-0
2methoxyethyl2amino77dimethyl4(4nitrophenyl)5oxo5678tetrahydro4Hchromene3carboxylate
2METHOXYETHYL2AMINO77DIMETHYL4(4NITROPHENYL)5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
302553760
CC1(CC2=C(C(C(=C(O2)N)C(=O)OCCOC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C1)C
COCCOC(=O)C1=C(N)OC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC21H24N2O7c121(2)1014(24)1715(1121)3019(22)18(20(25)2998283)16(17)124613(7512)23(26)27h4716H81122H213H3
ZINC000002273509
ZINC000002273510

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Available files

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