Vitas-M small molecule compound
2-amino-4-(2,4-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174374
SMILES COc1ccc(c(c1)OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1cc(ccc1C)[N+](=O)[O-])C#N
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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 C31H28N4O5 MW 536.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O5/c1-18-9-10-21(35(37)38)15-25(18)34-26-13-20(19-7-5-4-6-8-19)14-27(36)30(26)29(24(17-32)31(34)33)23-12-11-22(39-2)16-28(23)40-3/h4-12,15-16,20,29H,13-14,33H2,1-3H3InChIKey
YXSSHVKLVATSEV-UHFFFAOYSA-NSynonyms
444924-88-32amino4(24dimethoxyphenyl)1(2methyl5nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino4(24dimethoxyphenyl)1(2methyl5nitrophenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444924883
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=C(C=C(C=C4)OC)OC)C(=O)CC(C3)C5=CC=CC=C5
COc1ccc(c(c1)OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1cc(ccc1C)(N+)(=O)(O))C#N
InChI=1SC31H28N4O5c11891021(35(37)38)1525(18)34261320(197546819)1427(36)30(26)29(24(1732)31(34)33)23121122(392)1628(23)403h41215162029H131433H213H3
MFCD02606173
ZINC000000659890
ZINC000000659895
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