Vitas-M small molecule compound
2-(5-chloro-2-oxopyridin-1(2H)-yl)-1-(4-methoxy-3-nitrophenyl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
Catalog ID
STK147536
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)C(n1cc(Cl)ccc1=O)C(=O)N1CCC(CC1)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 C21H22ClN3O6 MW 447.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O6/c1-13-7-9-23(10-8-13)21(28)19(24-12-15(22)4-6-18(24)26)20(27)14-3-5-17(31-2)16(11-14)25(29)30/h3-6,11-13,19H,7-10H2,1-2H3InChIKey
LMLKHNVWHOUCKT-UHFFFAOYSA-NSynonyms
2(5CHLORO2OXOPYRIDIN1(2H)YL)1(4METHOXY3NITROPHENYL)3(4METHYLPIPERIDIN1YL)PROPANE13DIONE
2(5chloro2oxopyridin1yl)1(4methoxy3nitrophenyl)3(4methylpiperidin1yl)propane13dione
CC1CCN(CC1)C(=O)C(C(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))N3C=C(C=CC3=O)Cl
COc1ccc(cc1(N+)(=O)(O))C(=O)C(n1cc(Cl)ccc1=O)C(=O)N1CCC(CC1)C
InChI=1SC21H22ClN3O6c1137923(10813)21(28)19(241215(22)4618(24)26)20(27)143517(312)16(1114)25(29)30h36111319H710H212H3
MFCD09267562
ZINC000009601545
ZINC000009601547
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