Vitas-M small molecule compound
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide
Catalog ID
STK418136
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)C1c2ccccc2Oc2c1cccc2)(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 C28H28N2O2S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2S/c1-4-28(2,3)17-13-14-18-21(16-29)27(33-24(18)15-17)30-26(31)25-19-9-5-7-11-22(19)32-23-12-8-6-10-20(23)25/h5-12,17,25H,4,13-15H2,1-3H3,(H,30,31)InChIKey
DOLBLGQYOOPDTG-UHFFFAOYSA-NSynonyms
352692-85-4352692854
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC28H28N2O2Sc1428(23)1713141821(1629)27(3324(18)1517)3026(31)25199571122(19)322312861020(23)25h5121725H41315H213H3(H3031)
MFCD01358811
N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)9Hxanthene9carboxamide
ZINC000002084456
ZINC000002084457
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Check stock on Vitas-MAvailable files
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