Vitas-M small molecule compound
cyclopentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373549
SMILES COc1cc([N+](=O)[O-])c(cc1OC)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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-14-22(25(30)35-15-8-6-7-9-15)23(24-17(27-14)12-26(2,3)13-19(24)29)16-10-20(33-4)21(34-5)11-18(16)28(31)32/h10-11,15,23,27H,6-9,12-13H2,1-5H3InChIKey
UOJHHNJBYGQZCI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)OC4CCCC4
COc1cc((N+)(=O)(O))c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H32N2O7c11422(25(30)3515867915)23(2417(2714)1226(23)1319(24)29)161020(334)21(345)1118(16)28(31)32h1011152327H691213H215H3
MFCD00785390
ZINC000019805280
ZINC000019805282
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