Vitas-M small molecule compound
propan-2-yl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372276
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccncc1)C(=O)CC(C2)(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 C21H26N2O3 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3/c1-12(2)26-20(25)17-13(3)23-15-10-21(4,5)11-16(24)19(15)18(17)14-6-8-22-9-7-14/h6-9,12,18,23H,10-11H2,1-5H3InChIKey
LMZJTHGBXDKALU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)OC(C)C
InChI=1SC21H26N2O3c112(2)2620(25)1713(3)23151021(45)1116(24)19(15)18(17)1468229714h69121823H1011H215H3
MFCD00622794
propan2yl277trimethyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
propan2yl277trimethyl5oxo4pyridin4yl1468tetrahydroquinoline3carboxylate
ZINC000019227841
ZINC000019227844
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