Vitas-M small molecule compound
4-methoxybenzyl 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
STK403481
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)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 C30H28N2O8S MW 576.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O8S/c1-16-26(30(35)40-15-17-6-8-20(38-2)9-7-17)27(19-12-22(32(36)37)29(34)24(14-19)39-3)28-21(31-16)11-18(13-23(28)33)25-5-4-10-41-25/h4-10,12,14,18,27,31,34H,11,13,15H2,1-3H3InChIKey
NWZXCVXQIKRQCP-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
InChI=1SC30H28N2O8Sc11626(30(35)4015176820(382)9717)27(191222(32(36)37)29(34)24(1419)393)2821(3116)1118(1323(28)33)2554104125h410121418273134H111315H213H3
MFCD03489331
ZINC000097939704
ZINC000097939707
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