Vitas-M small molecule compound
propan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402787
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(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 C25H26N2O7S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7S/c1-12(2)34-25(30)21-13(3)26-16-8-14(20-6-5-7-35-20)10-18(28)23(16)22(21)15-9-17(27(31)32)24(29)19(11-15)33-4/h5-7,9,11-12,14,22,26,29H,8,10H2,1-4H3InChIKey
SPWCTWTYWHZQPI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OC(C)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(C)C
InChI=1SC25H26N2O7Sc112(2)3425(30)2113(3)2616814(206573520)1018(28)23(16)22(21)15917(27(31)32)24(29)19(1115)334h579111214222629H810H214H3
MFCD02868497
propan2yl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000019955435
ZINC000096024103
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Check stock on Vitas-MAvailable files
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