Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK065063
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C)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 C24H28N2O6 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O6/c1-14-20(23(28)32-13-17-8-5-9-31-17)21(15-6-4-7-16(10-15)26(29)30)22-18(25-14)11-24(2,3)12-19(22)27/h4,6-7,10,17,21,25H,5,8-9,11-13H2,1-3H3InChIKey
ZHRONQWFOSFDES-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC4CCCO4
InChI=1SC24H28N2O6c11420(23(28)3213178593117)21(1564716(1015)26(29)30)2218(2514)1124(23)1219(22)27h46710172125H5891113H213H3
MFCD02375937
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl277trimethyl4(3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
STK065063
tetrahydrofuran2ylmethyl277trimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000001203735
ZINC000001203745
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