Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407450
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)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/c1-7-35-13-12-33-27(31)22-17(5)28-19-14-16(4)21(26(30)32-6)25(29)24(19)23(22)18-10-8-9-11-20(18)34-15(2)3/h8-11,15-16,21,23,28H,7,12-14H2,1-6H3InChIKey
AGKOZJWDZZNKRL-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(2propan2yloxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC(C)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC27H35NO6Sc173513123327(31)2217(5)28191416(4)21(26(30)326)25(29)24(19)23(22)1810891120(18)3415(2)3h8111516212328H71214H216H3
MFCD04057099
ZINC000020190894
ZINC000034854311
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