Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402908
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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)33-10-11-34-26(30)23-16(3)27-20-13-18(22-5-4-12-35-22)14-21(29)25(20)24(23)17-6-8-19(9-7-17)28(31)32/h4-9,12,15,18,24,27H,10-11,13-14H2,1-3H3InChIKey
CSOPWWZXQOWWLI-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCOC(C)C
InChI=1SC26H28N2O6Sc115(2)3310113426(30)2316(3)27201318(2254123522)1421(29)25(20)24(23)176819(9717)28(31)32h491215182427H10111314H213H3
MFCD03145215
ZINC000002788516
ZINC000004617425
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