Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK886088
SMILES N#CC1=C(SCC(=O)Nc2ccc3c(c2)OCO3)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)(C)C
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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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-14-4-6-20(34-14)23-16(11-27)25(29-17-9-26(2,3)10-18(30)24(17)23)35-12-22(31)28-15-5-7-19-21(8-15)33-13-32-19/h4-8,23,29H,9-10,12-13H2,1-3H3,(H,28,31)InChIKey
WHGOHAQMJUGFCO-UHFFFAOYSA-NSynonyms
733031-34-0733031340
CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)SCC(=O)NC4=CC5=C(C=C4)OCO5)C#N
InChI=1SC26H25N3O5Sc1144620(3414)2316(1127)25(2917926(23)1018(30)24(17)23)351222(31)2815571921(815)33133219h482329H9101213H213H3(H2831)
MFCD04635946
N(13benzodioxol5yl)2((3cyano77dimethyl4(5methylfuran2yl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3cyano77dimethyl4(5methylfuran2yl)5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000003336207
ZINC000003336210
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