Vitas-M small molecule compound
5-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid
Catalog ID
STK457914
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)CCCC(=O)O)(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 C19H26N2O3S MW 362.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N2O3S/c1-4-19(2,3)12-8-9-13-14(11-20)18(25-15(13)10-12)21-16(22)6-5-7-17(23)24/h12H,4-10H2,1-3H3,(H,21,22)(H,23,24)InChIKey
MFEDSQMALVBNER-UHFFFAOYSA-NSynonyms
5((3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)O
InChI=1SC19H26N2O3Sc1419(23)12891314(1120)18(2515(13)1012)2116(22)65717(23)24h12H410H213H3(H2122)(H2324)
MFCD02254283
ZINC000005950855
ZINC000005950867
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