Vitas-M small molecule compound
2-phenoxyethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402935
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
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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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-18-26(29(33)37-13-12-36-22-9-3-2-4-10-22)27(19-7-5-8-21(15-19)31(34)35)28-23(30-18)16-20(17-24(28)32)25-11-6-14-38-25/h2-11,14-15,20,27,30H,12-13,16-17H2,1H3InChIKey
QCRDRILDHWLUKW-UHFFFAOYSA-NSynonyms
2phenoxyethyl2methyl4(3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl4(3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC5=CC=CC=C5
InChI=1SC29H26N2O6Sc11826(29(33)371312362293241022)27(1975821(1519)31(34)35)2823(3018)1620(1724(28)32)25116143825h2111415202730H12131617H21H3
MFCD03370964
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
ZINC000002735258
ZINC000002735261
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