Vitas-M small molecule compound
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK661499
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCC(=O)N
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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 C17H16N4O6S MW 404.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O6S/c1-2-27-17(24)14-13(9-5-3-4-6-11(9)21(25)26)10(7-18)16(20-15(14)23)28-8-12(19)22/h3-6,13-14H,2,8H2,1H3,(H2,19,22)(H,20,23)InChIKey
VUYCADVBXMHEPE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SCC(=O)N
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=CC=C2(N+)(=O)(O)
ethyl6((2amino2oxoethyl)sulfanyl)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL6(2AMINO2OXOETHYL)SULFANYL5CYANO4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
ETHYL6(CARBAMOYLMETHYLTHIO)5CYANO4(2NITROPHENYL)2OXO134TRIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC17H16N4O6Sc122717(24)1413(9534611(9)21(25)26)10(718)16(2015(14)23)28812(19)22h361314H28H21H3(H21922)(H2023)
MFCD01461827
ZINC000003668366
ZINC000003668369
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