Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063089
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)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 C21H27NO3S2 MW 405.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3S2/c1-5-26-9-7-25-20(24)17-13(2)22-15-10-21(3,4)11-16(23)19(15)18(17)14-6-8-27-12-14/h6,8,12,18,22H,5,7,9-11H2,1-4H3InChIKey
HDDNODRDLFBKNB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CC(C2)(C)C)C
InChI=1SC21H27NO3S2c1526972520(24)1713(2)22151021(34)1116(23)19(15)18(17)1468271214h68121822H57911H214H3
MFCD02375943
STK063089
ZINC000002754709
ZINC000002754710
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