Vitas-M small molecule compound
ethyl 2,7,7-trimethyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173097
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)C(F)(F)F)C(=O)CC(C2)(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 C29H29F3N2O6 MW 558.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N2O6/c1-5-39-27(36)24-16(2)33-20-13-28(3,4)14-22(35)26(20)25(24)18-9-10-23(21(12-18)34(37)38)40-15-17-7-6-8-19(11-17)29(30,31)32/h6-12,25,33H,5,13-15H2,1-4H3InChIKey
NEGXNCGHTQPBSP-UHFFFAOYSA-NSynonyms
397875-34-2397875342
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1cccc(c1)C(F)(F)F)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
ethyl277trimethyl4(3nitro4((3(trifluoromethyl)benzyl)oxy)phenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl277trimethyl4(3nitro4((3(trifluoromethyl)phenyl)methoxy)phenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H29F3N2O6c153927(36)2416(2)33201328(34)1422(35)26(20)25(24)1891023(21(1218)34(37)38)40151776819(1117)29(3031)32h6122533H51315H214H3
MFCD02175020
ZINC000002100613
ZINC000002100620
Check stock
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