Vitas-M small molecule compound
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK548731
SMILES COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc2c1CCCC2
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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 C27H24N4O2S2 MW 500.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O2S2/c1-33-17-11-9-16(10-12-17)25-19-5-2-3-7-22(19)30-26(21(25)14-29)34-15-24(32)31-27-20(13-28)18-6-4-8-23(18)35-27/h9-12H,2-8,15H2,1H3,(H,31,32)InChIKey
NETIGYCGFMQNOY-UHFFFAOYSA-NSynonyms
445383-31-32((3cyano4(4methoxyphenyl)5678tetrahydroquinolin2yl)thio)N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)acetamide
445383313
COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)NC4=C(C5=C(S4)CCC5)C#N)C#N
InChI=1SC27H24N4O2S2c1331711916(101217)2519523722(19)3026(21(25)1429)341524(32)312720(1328)1864823(18)3527h912H2815H21H3(H3132)
MFCD03234589
N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)2((3cyano4(4methoxyphenyl)5678tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000049208438
ZINC49208438
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