Vitas-M small molecule compound
2-ethoxyethyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK072002
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])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 C23H27ClN2O6 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O6/c1-5-31-8-9-32-22(28)19-13(2)25-17-11-23(3,4)12-18(27)21(17)20(19)15-10-14(26(29)30)6-7-16(15)24/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3InChIKey
XOWDFFQTDPDREH-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(2chloro5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(2chloro5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)CC(C2)(C)C)C
InChI=1SC23H27ClN2O6c1531893222(28)1913(2)25171123(34)1218(27)21(17)20(19)151014(26(29)30)6716(15)24h67102025H5891112H214H3
MFCD02104413
STK072002
ZINC000002776295
ZINC000002776296
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