Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 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
STK402745
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C27H28N2O8S MW 540.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O8S/c1-14-23(27(32)37-13-17-5-3-7-36-17)24(16-10-19(29(33)34)26(31)21(12-16)35-2)25-18(28-14)9-15(11-20(25)30)22-6-4-8-38-22/h4,6,8,10,12,15,17,24,28,31H,3,5,7,9,11,13H2,1-2H3InChIKey
WMTXUNDSEIEXRZ-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)OCC5CCCO5
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC27H28N2O8Sc11423(27(32)3713175373617)24(161019(29(33)34)26(31)21(1216)352)2518(2814)915(1120(25)30)226483822h46810121517242831H35791113H212H3
MFCD02868442
oxolan2ylmethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000029748146
ZINC000229909030
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