Vitas-M small molecule compound
2-amino-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174371
SMILES N#CC1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1ccc(c(c1)COc1c(C)cccc1C)OC)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 C34H34N4O5 MW 578.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O5/c1-20-7-6-8-21(2)32(20)43-19-23-15-22(9-14-29(23)42-5)30-26(18-35)33(36)37(24-10-12-25(13-11-24)38(40)41)27-16-34(3,4)17-28(39)31(27)30/h6-15,30H,16-17,19,36H2,1-5H3InChIKey
DLCFDKVVNIKWTE-UHFFFAOYSA-NSynonyms
444924-80-52amino4(3((26dimethylphenoxy)methyl)4methoxyphenyl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(3((26DIMETHYLPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444924805
CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=C(C=C5)(N+)(=O)(O))N)C#N)OC
InChI=1SC34H34N4O5c12076821(2)32(20)4319231522(91429(23)425)3026(1835)33(36)37(24101225(131124)38(40)41)271634(34)1728(39)31(27)30h61530H16171936H215H3
MFCD02606164
N#CC1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1ccc(c(c1)COc1c(C)cccc1C)OC)C(=O)CC(C2)(C)C
ZINC000008455956
ZINC000008455957
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.