Vitas-M small molecule compound
cyclopentyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079224
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)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 C26H31NO6 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6/c1-4-31-22-14-17(12-13-21(22)32-16(3)28)24-23(26(30)33-18-8-5-6-9-18)15(2)27-19-10-7-11-20(29)25(19)24/h12-14,18,24,27H,4-11H2,1-3H3InChIKey
QDWOTXCALPKMPC-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCC4)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1
cyclopentyl4(4(acetyloxy)3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxy3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H31NO6c1431221417(121321(22)3216(3)28)2423(26(30)3318856918)15(2)27191071120(29)25(19)24h1214182427H411H213H3
MFCD02633249
STK079224
ZINC000009635816
ZINC000009635817
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