Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK017277
SMILES O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)[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 C24H27ClN2O6 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O6/c1-13-20(23(29)33-12-15-5-4-8-32-15)21(16-9-14(27(30)31)6-7-17(16)25)22-18(26-13)10-24(2,3)11-19(22)28/h6-7,9,15,21,26H,4-5,8,10-12H2,1-3H3InChIKey
RHRZLSZWJLEFGE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OCC4CCCO4
InChI=1SC24H27ClN2O6c11320(23(29)3312155483215)21(16914(27(30)31)6717(16)25)2218(2613)1024(23)1119(22)28h679152126H4581012H213H3
MFCD02104398
O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl4(2chloro5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK017277
tetrahydrofuran2ylmethyl4(2chloro5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001213147
ZINC000019772393
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