Vitas-M small molecule compound
ethyl 2-{[({5-[1-(2,4-difluorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK473158
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2C)C(Oc2ccc(cc2F)F)C)sc2c1CCC(C2)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 C25H28F2N4O4S2 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F2N4O4S2/c1-5-34-24(33)21-16-8-6-13(2)10-19(16)37-23(21)28-20(32)12-36-25-30-29-22(31(25)4)14(3)35-18-9-7-15(26)11-17(18)27/h7,9,11,13-14H,5-6,8,10,12H2,1-4H3,(H,28,32)InChIKey
BXUKQJBBRKBRAG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(N3C)C(C)OC4=C(C=C(C=C4)F)F
ethyl2((((5(1(24difluorophenoxy)ethyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5(1(24difluorophenoxy)ethyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H28F2N4O4S2c153424(33)21168613(2)1019(16)3723(21)2820(32)123625302922(31(25)4)14(3)35189715(26)1117(18)27h79111314H5681012H214H3(H2832)
MFCD07078875
ZINC000097948052
ZINC000097948055
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