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-(3-chloro-4-fluorophenyl)acetamide
Catalog ID
STK579525
SMILES O=C(Nc1ccc(c(c1)Cl)F)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 C16H15ClFN7OS MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClFN7OS/c17-10-6-8(4-5-11(10)18)20-13(26)7-27-16-24-23-15(25(16)19)14-9-2-1-3-12(9)21-22-14/h4-6H,1-3,7,19H2,(H,20,26)(H,21,22)InChIKey
QWHVEIIRVINPIV-UHFFFAOYSA-NSynonyms
900880-50-42((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(3chloro4fluorophenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(3chloro4fluorophenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(3chloro4fluorophenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(3CHLORO4FLUOROPHENYL)ACETAMIDE
900880504
C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC(=O)NC4=CC(=C(C=C4)F)Cl
InChI=1SC16H15ClFN7OSc171068(4511(10)18)2013(26)72716242315(25(16)19)14921312(9)212214h46H13719H2(H2026)(H2122)
MFCD07201338
O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009110337
ZINC09110337
ZINC9110337
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.