Vitas-M small molecule compound
2-(methylsulfanyl)ethyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406381
SMILES CSCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1[N+](=O)[O-]
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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 C16H18N2O5S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O5S/c1-10-15(16(20)23-7-8-24-2)12(9-14(19)17-10)11-5-3-4-6-13(11)18(21)22/h3-6,12H,7-9H2,1-2H3,(H,17,19)InChIKey
XMVQVLGCHLIMSH-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)ethyl2methyl4(2nitrophenyl)6oxo1456tetrahydropyridine3carboxylate
2methylsulfanylethyl6methyl4(2nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
2METHYLTHIOETHYL2METHYL4(2NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=CC=CC=C2(N+)(=O)(O))C(=O)OCCSC
CSCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1(N+)(=O)(O)
InChI=1SC16H18N2O5Sc11015(16(20)2378242)12(914(19)1710)11534613(11)18(21)22h3612H79H212H3(H1719)
MFCD06759560
ZINC000004913622
ZINC000004913623
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