Vitas-M small molecule compound
3-cyclopentyl 6-methyl 4-(2-butoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404459
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC1CCCC1
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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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-5-6-15-35-22-14-10-9-13-20(22)25-24(29(33)36-19-11-7-8-12-19)18(3)30-21-16-17(2)23(28(32)34-4)27(31)26(21)25/h9-10,13-14,17,19,23,25,30H,5-8,11-12,15-16H2,1-4H3InChIKey
BJKCWLHCIBPGJA-UHFFFAOYSA-NSynonyms
3cyclopentyl6methyl4(2butoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl4(2butoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCC4)C
InChI=1SC29H37NO6c156153522141091320(22)2524(29(33)361911781219)18(3)30211617(2)23(28(32)344)27(31)26(21)25h91013141719232530H5811121516H214H3
MFCD04220492
ZINC000004788242
ZINC000101916228
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