Vitas-M small molecule compound

2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

Catalog ID
STK593386
SMILES CC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1cc([nH]n1)c1ccccc1)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 C22H23N7OS MW 433.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N7OS/c1-14(2)15-8-10-17(11-9-15)24-20(30)13-31-22-28-27-21(29(22)23)19-12-18(25-26-19)16-6-4-3-5-7-16/h3-12,14H,13,23H2,1-2H3,(H,24,30)(H,25,26)
InChIKey
PDOCPPDMAFOCOP-UHFFFAOYSA-N
Synonyms
879463-51-1
2((4AMINO5(3PHENYL1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)N(4PROPAN2YLPHENYL)ACETAMIDE
2((4amino5(3phenyl1Hpyrazol5yl)4H124triazol3yl)thio)N(4isopropylphenyl)acetamide
2((4amino5(5phenyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
2(4AMINO5(3PHENYLPYRAZOL5YL)(124TRIAZOL3YLTHIO))N(4(METHYLETHYL)PHENYL)ACETAMIDE
879463511
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4
CC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc(c1)c1ccccc1)C
CC(c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1cc((nH)n1)c1ccccc1)C
InChI=1SC22H23N7OSc114(2)1581017(11915)2420(30)133122282721(29(22)23)191218(252619)166435716h31214H1323H212H3(H2430)(H2526)
MFCD07208542
ZINC000009540821
ZINC09540821
ZINC9540821

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Available files

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