Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402917
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)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 C26H28N2O6S MW 496.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O6S/c1-15(2)33-9-10-34-26(30)23-16(3)27-20-13-18(22-8-5-11-35-22)14-21(29)25(20)24(23)17-6-4-7-19(12-17)28(31)32/h4-8,11-12,15,18,24,27H,9-10,13-14H2,1-3H3InChIKey
HXMKZNQBTSRVOB-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC(C)C
InChI=1SC26H28N2O6Sc115(2)339103426(30)2316(3)27201318(2285113522)1421(29)25(20)24(23)1764719(1217)28(31)32h48111215182427H9101314H213H3
MFCD03370949
ZINC000003639444
ZINC000003639457
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