Vitas-M small molecule compound
4-amino-7,7-dimethyl-2-(2-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile
Catalog ID
STK019541
SMILES N#CC1=C(N)C2=C(OC1c1ccccc1[N+](=O)[O-])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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c1-18(2)7-13(22)15-14(8-18)25-17(11(9-19)16(15)20)10-5-3-4-6-12(10)21(23)24/h3-6,17H,7-8,20H2,1-2H3InChIKey
PXDSGRQJMWMHOZ-UHFFFAOYSA-NSynonyms
4amino77dimethyl2(2nitrophenyl)5oxo5678tetrahydro2Hchromene3carbonitrile
4AMINO77DIMETHYL2(2NITROPHENYL)5OXO68DIHYDRO2HCHROMENE3CARBONITRILE
CC1(CC2=C(C(=O)C1)C(=C(C(O2)C3=CC=CC=C3(N+)(=O)(O))C#N)N)C
InChI=1SC18H17N3O4c118(2)713(22)1514(818)2517(11(919)16(15)20)10534612(10)21(23)24h3617H7820H212H3
MFCD08049787
N#CC1=C(N)C2=C(OC1c1ccccc1(N+)(=O)(O))CC(CC2=O)(C)C
STK019541
ZINC000004565647
ZINC000004565649
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