Vitas-M small molecule compound
ethyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL400555
SMILES CCOC(=O)c1c(NC(=O)c2cnn3c2nc(cc3C(F)F)c2ccccc2)sc2c1CCC(C2)CC
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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 C27H26F2N4O3S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F2N4O3S/c1-3-15-10-11-17-21(12-15)37-26(22(17)27(35)36-4-2)32-25(34)18-14-30-33-20(23(28)29)13-19(31-24(18)33)16-8-6-5-7-9-16/h5-9,13-15,23H,3-4,10-12H2,1-2H3,(H,32,34)InChIKey
PZQSWZVUSLECIK-UHFFFAOYSA-NSynonyms
445039-32-7445039327
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5
ethyl2(((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidin3yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidine3carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H26F2N4O3Sc131510111721(1215)3726(22(17)27(35)3642)3225(34)1814303320(23(28)29)1319(3124(18)33)168657916h59131523H341012H212H3(H3234)
MFCD02244036
ZINC000002107804
ZINC000002107806
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