Vitas-M small molecule compound

ethyl 4-{[({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate

Catalog ID
STK581577
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

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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 C22H20FN7O3S MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN7O3S/c1-2-33-21(32)14-5-9-16(10-6-14)25-19(31)12-34-22-29-28-20(30(22)24)18-11-17(26-27-18)13-3-7-15(23)8-4-13/h3-11H,2,12,24H2,1H3,(H,25,31)(H,26,27)
InChIKey
JDEDYFAAGQVDRM-UHFFFAOYSA-N
Synonyms
1039010-03-1
1039010031
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc(c1)c1ccc(cc1)F
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n(nH)c(c1)c1ccc(cc1)F
ethyl4((((4amino5(5(4fluorophenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((4AMINO5(3(4FLUOROPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4(2((4amino5(3(4fluorophenyl)1Hpyrazol5yl)4H124triazol3yl)thio)acetamido)benzoate
ETHYL4(2(4AMINO5(3(4FLUOROPHENYL)PYRAZOL5YL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC22H20FN7O3Sc123321(32)145916(10614)2519(31)123422292820(30(22)24)181117(262718)133715(23)8413h311H21224H21H3(H2531)(H2627)
MFCD07198721
ZINC000009541151
ZINC09541151
ZINC9541151

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Available files

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