Vitas-M small molecule compound

2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one

Catalog ID
STK757983
SMILES COc1cc(ccc1O)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 C18H20N2O6 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6/c1-18(2)7-11(22)15-13(8-18)26-17(19)16(20(23)24)14(15)9-4-5-10(21)12(6-9)25-3/h4-6,14,21H,7-8,19H2,1-3H3
InChIKey
PIJGFCFEMLFZKI-UHFFFAOYSA-N
Synonyms

2amino4(4hydroxy3methoxyphenyl)77dimethyl3nitro4678tetrahydro5Hchromen5one
2AMINO4(4HYDROXY3METHOXYPHENYL)77DIMETHYL3NITRO68DIHYDRO4HCHROMEN5ONE
CC1(CC2=C(C(C(=C(O2)N)(N+)(=O)(O))C3=CC(=C(C=C3)O)OC)C(=O)C1)C
COc1cc(ccc1O)C1C2=C(OC(=C1(N+)(=O)(O))N)CC(CC2=O)(C)C
InChI=1SC18H20N2O6c118(2)711(22)1513(818)2617(19)16(20(23)24)14(15)94510(21)12(69)253h461421H7819H213H3
MFCD01305343
ZINC000001060083
ZINC000001060085

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Available files

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