Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030412
SMILES O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC2)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 C22H23ClN2O6 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O6/c1-12-19(22(27)31-11-14-4-3-9-30-14)20(21-17(24-12)5-2-6-18(21)26)15-10-13(25(28)29)7-8-16(15)23/h7-8,10,14,20,24H,2-6,9,11H2,1H3InChIKey
XKHALFCTYDREBZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OCC4CCCO4
InChI=1SC22H23ClN2O6c11219(22(27)3111144393014)20(2117(2412)52618(21)26)151013(25(28)29)7816(15)23h7810142024H26911H21H3
MFCD02188086
O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl4(2chloro5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK030412
tetrahydrofuran2ylmethyl4(2chloro5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001213230
ZINC000001213239
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