Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173052
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1ccc(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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-26(2)11-19(30)24-22(12-26)35-25(28)18(13-27)23(24)16-6-9-20(21(10-16)33-3)34-14-15-4-7-17(8-5-15)29(31)32/h4-10,23H,11-12,14,28H2,1-3H3InChIKey
GHSDDKARGJJAQY-UHFFFAOYSA-NSynonyms
380647-27-82amino4(3methoxy4((4nitrobenzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
380647278
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)C1)C
InChI=1SC26H25N3O6c126(2)1119(30)2422(1226)3525(28)18(1327)23(24)166920(21(1016)333)3414154717(8515)29(31)32h41023H11121428H213H3
MFCD02175101
N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000000716012
ZINC000000716013
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