Vitas-M small molecule compound

ethyl 2-[({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL177348
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(cc(c2C#N)C)C(F)F)sc2c1CCCC2

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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 C21H21F2N3O3S2 MW 465.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N3O3S2/c1-3-29-21(28)17-12-6-4-5-7-15(12)31-20(17)26-16(27)10-30-19-13(9-24)11(2)8-14(25-19)18(22)23/h8,18H,3-7,10H2,1-2H3,(H,26,27)
InChIKey
DBZHQZHZTNJTNY-UHFFFAOYSA-N
Synonyms
832114-71-3
832114713
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C(F)F)C)C#N
ethyl2((((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(3cyano6(difluoromethyl)4methylpyridin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H21F2N3O3S2c132921(28)1712645715(12)3120(17)2616(27)10301913(924)11(2)814(2519)18(22)23h818H3710H212H3(H2627)
MFCD04053117
ZINC000020608517
ZINC20608517

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Available files

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