Vitas-M small molecule compound

2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide

Catalog ID
STK590992
SMILES O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1[nH]nc2c1CCC2

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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 C16H15BrFN7OS MW 452.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrFN7OS/c17-8-4-5-12(10(18)6-8)20-13(26)7-27-16-24-23-15(25(16)19)14-9-2-1-3-11(9)21-22-14/h4-6H,1-3,7,19H2,(H,20,26)(H,21,22)
InChIKey
JUGDGDUNOSAYJO-UHFFFAOYSA-N
Synonyms
900878-09-3
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(4bromo2fluorophenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(4bromo2fluorophenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(4bromo2fluorophenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(4BROMO2FLUOROPHENYL)ACETAMIDE
900878093
C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC(=O)NC4=C(C=C(C=C4)Br)F
InChI=1SC16H15BrFN7OSc1784512(10(18)68)2013(26)72716242315(25(16)19)14921311(9)212214h46H13719H2(H2026)(H2122)
MFCD07209367
O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009541073
ZINC09541073
ZINC9541073

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.