Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403350
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccc(c(c1)OC)OCC
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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 C33H41NO8S MW 611.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO8S/c1-8-41-25-11-10-20(16-26(25)37-4)21-14-23-31(24(35)15-21)30(22-17-27(38-5)32(40-7)28(18-22)39-6)29(19(3)34-23)33(36)42-12-13-43-9-2/h10-11,16-18,21,30,34H,8-9,12-15H2,1-7H3InChIKey
WWRACAHLGJEBNK-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4ethoxy3methoxyphenyl)2methyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4ethoxy3methoxyphenyl)2methyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OCCSCC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C2)OC
InChI=1SC33H41NO8Sc184125111020(1626(25)374)21142331(24(35)1521)30(221727(385)32(407)28(1822)396)29(19(3)3423)33(36)4212134392h10111618213034H891215H217H3
MFCD03489167
ZINC000097939782
ZINC000097939785
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