Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK068414
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C24H29NO5S MW 443.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5S/c1-5-31-9-8-28-23(27)20-14(2)25-16-11-24(3,4)12-17(26)22(16)21(20)15-6-7-18-19(10-15)30-13-29-18/h6-7,10,21,25H,5,8-9,11-13H2,1-4H3InChIKey
PRDMVRFMMQZSIN-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC24H29NO5Sc1531982823(27)2014(2)25161124(34)1217(26)22(16)21(20)15671819(1015)30132918h67102125H5891113H214H3
MFCD01571463
STK068414
ZINC000002757392
ZINC000002757393
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