Vitas-M small molecule compound
methyl 7-(4-tert-butylphenyl)-2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406897
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccncc1)C(=O)CC(C2)c1ccc(cc1)C(C)(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 C27H30N2O3 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3/c1-16-23(26(31)32-5)24(18-10-12-28-13-11-18)25-21(29-16)14-19(15-22(25)30)17-6-8-20(9-7-17)27(2,3)4/h6-13,19,24,29H,14-15H2,1-5H3InChIKey
FRFPCUNGVLQVDD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=NC=C4)C(=O)OC
InChI=1SC27H30N2O3c11623(26(31)325)24(18101228131118)2521(2916)1419(1522(25)30)176820(9717)27(23)4h613192429H1415H215H3
methyl7(4tertbutylphenyl)2methyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
methyl7(4tertbutylphenyl)2methyl5oxo4pyridin4yl4678tetrahydro1Hquinoline3carboxylate
MFCD06007221
ZINC000001066048
ZINC000001066062
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Check stock on Vitas-MAvailable files
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