Vitas-M small molecule compound
2-methylpropyl 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
STK402770
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(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 C26H28N2O7S MW 512.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O7S/c1-13(2)12-35-26(31)22-14(3)27-17-8-15(21-6-5-7-36-21)10-19(29)24(17)23(22)16-9-18(28(32)33)25(30)20(11-16)34-4/h5-7,9,11,13,15,23,27,30H,8,10,12H2,1-4H3InChIKey
NYIZKFODZBTVMQ-UHFFFAOYSA-NSynonyms
2methylpropyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCC(C)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
InChI=1SC26H28N2O7Sc113(2)123526(31)2214(3)2717815(216573621)1019(29)24(17)23(22)16918(28(32)33)25(30)20(1116)344h579111315232730H81012H214H3
MFCD02868475
ZINC000019848267
ZINC000095201984
Check stock
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Check stock on Vitas-MAvailable files
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