Vitas-M small molecule compound

(2E)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

Catalog ID
STK419288
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)/C=C/c1ccc(o1)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 C22H26N2O2S MW 382.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O2S/c1-5-22(3,4)15-7-10-17-18(13-23)21(27-19(17)12-15)24-20(25)11-9-16-8-6-14(2)26-16/h6,8-9,11,15H,5,7,10,12H2,1-4H3,(H,24,25)/b11-9+
InChIKey
IVPAZHHPOHGJSP-PKNBQFBNSA-N
Synonyms
551898-78-3
(2E)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)3(5methylfuran2yl)prop2enamide
(E)N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)3(5methylfuran2yl)prop2enamide
551898783
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC=C(O3)C
CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)C=Cc1ccc(o1)C)(C)C
InChI=1SC22H26N2O2Sc1522(34)157101718(1323)21(2719(17)1215)2420(25)119168614(2)2616h6891115H571012H214H3(H2425)b119+
MFCD01354616
ZINC000000996638
ZINC000000996640

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Available files

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