Vitas-M small molecule compound
cyclopentyl 4-(4-tert-butylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011071
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(C)(C)C)C(=O)CCC2)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 C26H33NO3 MW 407.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO3/c1-16-22(25(29)30-19-8-5-6-9-19)23(24-20(27-16)10-7-11-21(24)28)17-12-14-18(15-13-17)26(2,3)4/h12-15,19,23,27H,5-11H2,1-4H3InChIKey
YDNMGKYLKVTRTI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCC4
cyclopentyl4(4tertbutylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4tertbutylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H33NO3c11622(25(29)3019856919)23(2420(2716)1071121(24)28)17121418(151317)26(23)4h1215192327H511H214H3
MFCD02627241
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(C)(C)C)C(=O)CCC2)OC1CCCC1
STK011071
ZINC000001456262
ZINC000001456263
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