Vitas-M small molecule compound
methyl {[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK886418
SMILES COC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2
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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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-25-17(24)9-28-20-12(8-21)18(19-13(22-20)3-2-4-14(19)23)11-5-6-15-16(7-11)27-10-26-15/h5-7,18,22H,2-4,9-10H2,1H3InChIKey
ZPJYASINWCTDJC-UHFFFAOYSA-NSynonyms
370854-26-5370854265
COC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC20H18N2O5Sc12517(24)9282012(821)18(1913(2220)32414(19)23)11561516(711)27102615h571822H24910H21H3
methyl((4(13benzodioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
methyl2((4(13benzodioxol5yl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
methyl2((4(benzo(d)(13)dioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)thio)acetate
MFCD02999674
ZINC000013282346
ZINC000013282347
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