Vitas-M small molecule compound
3-cyclohexyl 6-methyl 4-(2-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404722
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC1CCCCC1
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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 C28H35NO6 MW 481.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO6/c1-5-34-21-14-10-9-13-19(21)24-23(28(32)35-18-11-7-6-8-12-18)17(3)29-20-15-16(2)22(27(31)33-4)26(30)25(20)24/h9-10,13-14,16,18,22,24,29H,5-8,11-12,15H2,1-4H3InChIKey
GRPSTGVYAYQQKG-UHFFFAOYSA-NSynonyms
3cyclohexyl6methyl4(2ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl4(2ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCCC4)C
InChI=1SC28H35NO6c153421141091319(21)2423(28(32)3518117681218)17(3)29201516(2)22(27(31)334)26(30)25(20)24h91013141618222429H58111215H214H3
MFCD06193938
ZINC000004788004
ZINC000102558549
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