Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-(2,4,6-trimethyl-3-nitrophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK754836
SMILES N#CC1=C(N)OC2=C(C1c1c(C)cc(c(c1C)[N+](=O)[O-])C)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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-10-6-11(2)19(24(26)27)12(3)16(10)17-13(9-22)20(23)28-15-8-21(4,5)7-14(25)18(15)17/h6,17H,7-8,23H2,1-5H3InChIKey
YAWNTEWNNPWEMF-UHFFFAOYSA-NSynonyms
2AMINO77DIMETHYL5OXO4(246TRIMETHYL3NITROPHENYL)4H678TRIHYDROCHROMENE3CARBONITRILE
2amino77dimethyl5oxo4(246trimethyl3nitrophenyl)5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL5OXO4(246TRIMETHYL3NITROPHENYL)68DIHYDRO4HCHROMENE3CARBONITRILE
CC1=CC(=C(C(=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)(N+)(=O)(O))C
InChI=1SC21H23N3O4c110611(2)19(24(26)27)12(3)16(10)1713(922)20(23)2815821(45)714(25)18(15)17h617H7823H215H3
MFCD00349920
N#CC1=C(N)OC2=C(C1c1c(C)cc(c(c1C)(N+)(=O)(O))C)C(=O)CC(C2)(C)C
ZINC000000662778
ZINC000000662779
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