Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402836
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C28H30N2O8S MW 554.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O8S/c1-3-36-22-13-17(11-20(27(22)32)30(34)35)25-24(28(33)38-14-18-6-4-8-37-18)15(2)29-19-10-16(12-21(31)26(19)25)23-7-5-9-39-23/h5,7,9,11,13,16,18,25,29,32H,3-4,6,8,10,12,14H2,1-2H3InChIKey
VWSCDOWIYZDYOF-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC28H30N2O8Sc1336221317(1120(27(22)32)30(34)35)2524(28(33)3814186483718)15(2)29191016(1221(31)26(19)25)237593923h57911131618252932H3468101214H212H3
MFCD03036712
oxolan2ylmethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000097939738
ZINC000229925646
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