Vitas-M small molecule compound
2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-benzylacetamide
Catalog ID
STK887426
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
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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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c27-12-18-24(17-9-10-21-22(11-17)33-15-32-21)25-19(7-4-8-20(25)30)29-26(18)34-14-23(31)28-13-16-5-2-1-3-6-16/h1-3,5-6,9-11,24,29H,4,7-8,13-15H2,(H,28,31)InChIKey
IJTPJNVKJWUFQL-UHFFFAOYSA-NSynonyms
384356-91-62((4(13benzodioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)Nbenzylacetamide
2((4(13benzodioxol5yl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)Nbenzylacetamide
2((4(benzo(d)(13)dioxol5yl)3cyano5oxo145678hexahydroquinolin2yl)thio)Nbenzylacetamide
384356916
C1CC2=C(C(C(=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC26H23N3O4Sc27121824(179102122(1117)33153221)2519(74820(25)30)2926(18)341423(31)2813165213616h13569112429H4781315H2(H2831)
MFCD03000923
ZINC000013174496
ZINC000013174498
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