Vitas-M small molecule compound
cyclopentyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK032047
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C26H33NO3 MW 407.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO3/c1-5-17-10-12-18(13-11-17)23-22(25(29)30-19-8-6-7-9-19)16(2)27-20-14-26(3,4)15-21(28)24(20)23/h10-13,19,23,27H,5-9,14-15H2,1-4H3InChIKey
JQSHDIRKKPTSLY-UHFFFAOYSA-NSynonyms
299947-69-6299947696
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCC4)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO3c1517101218(131117)2322(25(29)3019867919)16(2)27201426(34)1521(28)24(20)23h1013192327H591415H214H3
MFCD00753185
STK032047
ZINC000004032165
ZINC000004032166
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