Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407453
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCCC)C(=O)C(C(C2)C)C(=O)OC
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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/c1-6-12-33-19-10-8-18(9-11-19)23-22(27(31)34-13-14-35-7-2)17(4)28-20-15-16(3)21(26(30)32-5)25(29)24(20)23/h8-11,16,21,23,28H,6-7,12-15H2,1-5H3InChIKey
TYQBNQGNESHRAR-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C
InChI=1SC27H35NO6Sc1612331910818(91119)2322(27(31)3413143572)17(4)28201516(3)21(26(30)325)25(29)24(20)23h81116212328H671215H215H3
MFCD04057102
ZINC000009672874
ZINC000102557608
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