Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402991
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1cccs1
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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 C26H28N2O5S2 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5S2/c1-4-34-11-9-33-26(30)23-16(3)27-19-12-18(22-6-5-10-35-22)14-21(29)25(19)24(23)17-8-7-15(2)20(13-17)28(31)32/h5-8,10,13,18,24,27H,4,9,11-12,14H2,1-3H3InChIKey
YHYZKPNLLJMPCY-UHFFFAOYSA-NSynonyms
581781-80-82(ethylsulfanyl)ethyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
581781808
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC26H28N2O5S2c14341193326(30)2316(3)27191218(2265103522)1421(29)25(19)24(23)178715(2)20(1317)28(31)32h581013182427H49111214H213H3
MFCD03371013
ZINC000003639527
ZINC000003639535
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