Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(9-ethyl-9H-carbazol-3-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407443
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)c1ccccc1n3CC)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 C32H36N2O5S MW 560.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O5S/c1-6-34-24-11-9-8-10-21(24)22-17-20(12-13-25(22)34)28-27(32(37)39-14-15-40-7-2)19(4)33-23-16-18(3)26(31(36)38-5)30(35)29(23)28/h8-13,17-18,26,28,33H,6-7,14-16H2,1-5H3InChIKey
BNESVEPATFAYCP-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(9ethyl9Hcarbazol3yl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(9ethylcarbazol3yl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCN1C2=C(C=C(C=C2)C3C4=C(CC(C(C4=O)C(=O)OC)C)NC(=C3C(=O)OCCSCC)C)C5=CC=CC=C51
InChI=1SC32H36N2O5Sc16342411981021(24)221720(121325(22)34)2827(32(37)3914154072)19(4)33231618(3)26(31(36)385)30(35)29(23)28h8131718262833H671416H215H3
MFCD04057092
ZINC000102557219
ZINC000229932290
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