Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK094905
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)Cl)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 C26H25ClN2O5 MW 480.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O5/c1-14(2)34-26(31)23-15(3)28-21-12-18(16-7-9-19(27)10-8-16)13-22(30)25(21)24(23)17-5-4-6-20(11-17)29(32)33/h4-11,14,18,24,28H,12-13H2,1-3H3InChIKey
KUDZQGZJKLUFQX-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC26H25ClN2O5c114(2)3426(31)2315(3)28211218(167919(27)10816)1322(30)25(21)24(23)1754620(1117)29(32)33h41114182428H1213H213H3
MFCD02632875
propan2yl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK094905
ZINC000001201283
ZINC000001201295
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