Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403015
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC
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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 C28H30N2O6S MW 522.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6S/c1-4-37-14-13-36-28(32)25-17(2)29-22-15-19(21-7-5-6-8-24(21)35-3)16-23(31)27(22)26(25)18-9-11-20(12-10-18)30(33)34/h5-12,19,26,29H,4,13-16H2,1-3H3InChIKey
KJXSTIPCKLFCFB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC28H30N2O6Sc143714133628(32)2517(2)29221519(21756824(21)353)1623(31)27(22)26(25)1891120(121018)30(33)34h512192629H41316H213H3
MFCD03371031
ZINC000002806048
ZINC000002806051
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