Vitas-M small molecule compound

ethyl 4-(2-amino-7,7-dimethyl-3-nitro-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate

Catalog ID
STL170535
SMILES CCOC(=O)c1ccc(cc1)C1C2=C(OC(=C1[N+](=O)[O-])N)CC(CC2=O)(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)12-7-5-11(6-8-12)15-16-13(23)9-20(2,3)10-14(16)28-18(21)17(15)22(25)26/h5-8,15H,4,9-10,21H2,1-3H3
InChIKey
DGTOOUAIRFQOHL-UHFFFAOYSA-N
Synonyms
353781-64-3
353781643
CCOC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2(N+)(=O)(O))N
CCOC(=O)c1ccc(cc1)C1C2=C(OC(=C1(N+)(=O)(O))N)CC(CC2=O)(C)C
ethyl4(2amino77dimethyl3nitro5oxo5678tetrahydro4Hchromen4yl)benzoate
ETHYL4(2AMINO77DIMETHYL3NITRO5OXO68DIHYDRO4HCHROMEN4YL)BENZOATE
InChI=1SC20H22N2O6c142719(24)127511(6812)151613(23)920(23)1014(16)2818(21)17(15)22(25)26h5815H491021H213H3
MFCD01243767
ZINC000000994470
ZINC000000994471

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Available files

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