Vitas-M small molecule compound
(2E)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Catalog ID
STK433139
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc(cc1)C(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 C23H26N2OS MW 378.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2OS/c1-4-16-7-11-19-20(14-24)23(27-21(19)13-16)25-22(26)12-8-17-5-9-18(10-6-17)15(2)3/h5-6,8-10,12,15-16H,4,7,11,13H2,1-3H3,(H,25,26)/b12-8+InChIKey
WUOWSLGLIVTSAF-XYOKQWHBSA-NSynonyms
(2E)N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)3(4(propan2yl)phenyl)prop2enamide
(E)N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)3(4propan2ylphenyl)prop2enamide
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC=C(C=C3)C(C)C
CCC1CCc2c(C1)sc(c2C#N)NC(=O)C=Cc1ccc(cc1)C(C)C
InChI=1SC23H26N2OSc14167111920(1424)23(2721(19)1316)2522(26)128175918(10617)15(2)3h56810121516H471113H213H3(H2526)b128+
MFCD01336624
ZINC000002736584
ZINC000002736586
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