Vitas-M small molecule compound
cyclohexyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK085518
SMILES COc1cccc(c1)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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-16-22(25(29)31-18-10-6-5-7-11-18)23(17-9-8-12-19(13-17)30-4)24-20(27-16)14-26(2,3)15-21(24)28/h8-9,12-13,18,23,27H,5-7,10-11,14-15H2,1-4H3InChIKey
IWNFCHFHAHBNAY-UHFFFAOYSA-NSynonyms
299945-66-7299945667
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C(=O)OC4CCCCC4
COc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl4(3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO4c11622(25(29)3118106571118)23(17981219(1317)304)2420(2716)1426(23)1521(24)28h891213182327H5710111415H214H3
MFCD00717892
STK085518
ZINC000000626632
ZINC000000626637
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