Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407405
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C32H37NO7S MW 579.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO7S/c1-6-41-15-14-39-32(36)27-20(3)33-23-16-19(2)26(31(35)38-5)30(34)29(23)28(27)22-12-13-24(25(17-22)37-4)40-18-21-10-8-7-9-11-21/h7-13,17,19,26,28,33H,6,14-16,18H2,1-5H3InChIKey
CELSLVSRAQJBLD-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(4(benzyloxy)3methoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3methoxy4phenylmethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC32H37NO7Sc164115143932(36)2720(3)33231619(2)26(31(35)385)30(34)29(23)28(27)22121324(25(1722)374)401821108791121h7131719262833H6141618H215H3
MFCD04057054
ZINC000029747802
ZINC000097939742
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