Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753800
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc3c(c1)OCO3)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 C25H22N4O5 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5/c1-25(2)10-18-23(19(30)11-25)22(14-6-7-20-21(8-14)34-13-33-20)17(12-26)24(27)28(18)15-4-3-5-16(9-15)29(31)32/h3-9,22H,10-11,13,27H2,1-2H3InChIKey
LFXLWLNWVRWRII-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC25H22N4O5c125(2)101823(19(30)1125)22(14672021(814)34133320)17(1226)24(27)28(18)1543516(915)29(31)32h3922H10111327H212H3
MFCD00824600
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
ZINC000000713334
ZINC000000713336
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