Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK074839
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C23H27ClN2O5S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-16-11-23(3,4)12-18(27)21(16)20(19)14-6-7-15(24)17(10-14)26(29)30/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey
BRHFBVBCWRYZTH-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4chloro3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4chloro3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC23H27ClN2O5Sc1532983122(28)1913(2)25161123(34)1218(27)21(16)20(19)146715(24)17(1014)26(29)30h67102025H5891112H214H3
MFCD02188793
STK074839
ZINC000002779900
ZINC000002779901

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Available files

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