Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK040325
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)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 C27H35NO6S MW 501.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6S/c1-7-32-22-13-18(9-10-21(22)34-17(4)29)24-23(26(31)33-11-12-35-8-2)16(3)28-19-14-27(5,6)15-20(30)25(19)24/h9-10,13,24,28H,7-8,11-12,14-15H2,1-6H3InChIKey
WRZNTLFATQXJLF-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4(acetyloxy)3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4acetyloxy3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCSCC)C)OC(=O)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)(C)C
InChI=1SC27H35NO6Sc1732221318(91021(22)3417(4)29)2423(26(31)3311123582)16(3)28191427(56)1520(30)25(19)24h910132428H7811121415H216H3
MFCD02375922
STK040325
ZINC000008813702
ZINC000008813704
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