Vitas-M small molecule compound
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173084
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)Cl)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 C25H22ClN3O5 MW 479.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O5/c1-25(2)10-19(30)23-21(11-25)34-24(28)17(12-27)22(23)15-5-8-20(18(9-15)29(31)32)33-13-14-3-6-16(26)7-4-14/h3-9,22H,10-11,13,28H2,1-2H3InChIKey
RWUKBJMPVNWTNA-UHFFFAOYSA-NSynonyms
398136-33-92amino4(4((4chlorobenzyl)oxy)3nitrophenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(4((4CHLOROPHENYL)METHOXY)3NITROPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2AMINO4(4((4CHLOROPHENYL)METHOXY)3NITROPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
398136339
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H22ClN3O5c125(2)1019(30)2321(1125)3424(28)17(1227)22(23)155820(18(915)29(31)32)3313143616(26)7414h3922H10111328H212H3
MFCD02175067
N#CC1=C(N)OC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)Cl)C(=O)CC(C2)(C)C
ZINC000000654753
ZINC000000654755
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