Vitas-M small molecule compound
2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Catalog ID
STL497342
SMILES COc1ccc(cc1)c1nc(SC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC)[nH]c(=O)c1C#N
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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 C25H23N5O3S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S2/c1-3-19(23(32)29-24-17(12-26)16-6-4-5-7-20(16)34-24)35-25-28-21(18(13-27)22(31)30-25)14-8-10-15(33-2)11-9-14/h8-11,19H,3-7H2,1-2H3,(H,29,32)(H,28,30,31)InChIKey
LGDJISPSMCOJSZ-UHFFFAOYSA-NSynonyms
2((5cyano4(4methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((5cyano6(4methoxyphenyl)4oxo1Hpyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
4580799
InChI=1SC25H23N5O3S2c1319(23(32)292417(1226)16645720(16)3424)35252821(18(1327)22(31)3025)1481015(332)11914h81119H37H212H3(H2932)(H283031)
MFCD02042171
ZINC000020573018
ZINC000020573021
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Check stock on Vitas-MAvailable files
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