Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 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
STK403148
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOC(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 C27H30N2O8S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O8S/c1-14(2)36-7-8-37-27(32)23-15(3)28-18-10-16(22-6-5-9-38-22)12-20(30)25(18)24(23)17-11-19(29(33)34)26(31)21(13-17)35-4/h5-6,9,11,13-14,16,24,28,31H,7-8,10,12H2,1-4H3InChIKey
DDHPUECMFWLTQW-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(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)OCCOC(C)C
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOC(C)C
InChI=1SC27H30N2O8Sc114(2)36783727(32)2315(3)28181016(226593822)1220(30)25(18)24(23)171119(29(33)34)26(31)21(1317)354h56911131416242831H781012H214H3
MFCD03371110
ZINC000097939602
ZINC000097939605
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