Vitas-M small molecule compound
cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402958
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
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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 C28H36N2O7 MW 512.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O7/c1-5-36-22-13-17(12-20(26(22)32)30(34)35)24-23(27(33)37-18-10-8-6-7-9-11-18)16(2)29-19-14-28(3,4)15-21(31)25(19)24/h12-13,18,24,29,32H,5-11,14-15H2,1-4H3InChIKey
AHEYHUBOBSDHSD-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCCC4)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCCC1
cycloheptyl4(3ethoxy4hydroxy5nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(3ethoxy4hydroxy5nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H36N2O7c1536221317(1220(26(22)32)30(34)35)2423(27(33)37181086791118)16(2)29191428(34)1521(31)25(19)24h121318242932H5111415H214H3
MFCD03370984
ZINC000095201997
ZINC000095201998
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