Vitas-M small molecule compound
cyclohexyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK086718
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C27H35NO4 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO4/c1-5-31-19-13-11-18(12-14-19)24-23(26(30)32-20-9-7-6-8-10-20)17(2)28-21-15-27(3,4)16-22(29)25(21)24/h11-14,20,24,28H,5-10,15-16H2,1-4H3InChIKey
SEXTWCBGUMZWDP-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl4(4ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H35NO4c153119131118(121419)2423(26(30)322097681020)17(2)28211527(34)1622(29)25(21)24h1114202428H5101516H214H3
MFCD00770999
STK086718
ZINC000004061668
ZINC000004061681
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