Vitas-M small molecule compound
ethyl 4-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK555782
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)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 C26H26N6O3S2 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3S2/c1-4-35-24(34)19-10-12-20(13-11-19)29-23(33)16-37-26-31-30-22(32(26)21-8-6-5-7-9-21)15-36-25-27-17(2)14-18(3)28-25/h5-14H,4,15-16H2,1-3H3,(H,29,33)InChIKey
QYEFQIQXCAGRCW-UHFFFAOYSA-NSynonyms
335397-87-0335397870
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=CC(=N4)C)C
ETHYL4((((5(((46DIMETHYL2PYRIMIDINYL)SULFANYL)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4((((5(((46dimethylpyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4(2((5(((46dimethylpyrimidin2yl)thio)methyl)4phenyl4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(5((46DIMETHYLPYRIMIDIN2YLTHIO)METHYL)4PHENYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC26H26N6O3S2c143524(34)19101220(131119)2923(33)163726313022(32(26)218657921)1536252717(2)1418(3)2825h514H41516H213H3(H2933)
MFCD02741118
ZINC000001805481
ZINC01805481
ZINC1805481
Check stock
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Check stock on Vitas-MAvailable files
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