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)methyl]benzoate
Catalog ID
STK558440
SMILES CCOC(=O)c1ccc(cc1)CNC(=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 C27H28N6O3S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O3S2/c1-4-36-25(35)21-12-10-20(11-13-21)15-28-24(34)17-38-27-32-31-23(33(27)22-8-6-5-7-9-22)16-37-26-29-18(2)14-19(3)30-26/h5-14H,4,15-17H2,1-3H3,(H,28,34)InChIKey
YYJGFROXEVIXSH-UHFFFAOYSA-NSynonyms
586999-96-4586999964
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=CC(=N4)C)C
ethyl4(((((5(((46dimethylpyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)methyl)benzoate
ETHYL4(((2((5((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)METHYL)BENZOATE
ethyl4((2((5(((46dimethylpyrimidin2yl)thio)methyl)4phenyl4H124triazol3yl)thio)acetamido)methyl)benzoate
InChI=1SC27H28N6O3S2c143625(35)21121020(111321)152824(34)173827323123(33(27)228657922)1637262918(2)1419(3)3026h514H41517H213H3(H2834)
MFCD03847869
ZINC000006158107
ZINC6158107
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