Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757444
SMILES N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C)c1cccc(c1C)Cl
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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 C28H30ClN3O4 MW 508.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O4/c1-15-18(29)8-7-9-19(15)32-20-12-28(2,3)13-21(33)25(20)24(17(14-30)27(32)31)16-10-22(34-4)26(36-6)23(11-16)35-5/h7-11,24H,12-13,31H2,1-6H3InChIKey
XNTSLWBITKQXDK-UHFFFAOYSA-NSynonyms
2amino1(3chloro2methylphenyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLORO2METHYLPHENYL)77DIMETHYL5OXO4(345TRIMETHOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CC(C3)(C)C
InChI=1SC28H30ClN3O4c11518(29)87919(15)32201228(23)1321(33)25(20)24(17(1430)27(32)31)161022(344)26(366)23(1116)355h71124H121331H216H3
MFCD01305930
ZINC000001445609
ZINC000001445610
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