Vitas-M small molecule compound
benzyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK021517
SMILES Ic1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C26H26INO3 MW 527.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26INO3/c1-16-22(25(30)31-15-17-8-5-4-6-9-17)23(18-10-7-11-19(27)12-18)24-20(28-16)13-26(2,3)14-21(24)29/h4-12,23,28H,13-15H2,1-3H3InChIKey
IOUOXCTVEMOIEJ-UHFFFAOYSA-NSynonyms
benzyl4(3iodophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3iodophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4
Ic1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC26H26INO3c11622(25(30)3115178546917)23(181071119(27)1218)2420(2816)1326(23)1421(24)29h4122328H1315H213H3
MFCD00325305
STK021517
ZINC000002024281
ZINC000002024293
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