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-chloro-2-methylphenyl)acetamide
Catalog ID
STL058124
SMILES O=C(Nc1ccc(cc1C)Cl)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 C17H18ClN7OS MW 403.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN7OS/c1-9-7-10(18)5-6-12(9)20-14(26)8-27-17-24-23-16(25(17)19)15-11-3-2-4-13(11)21-22-15/h5-7H,2-4,8,19H2,1H3,(H,20,26)(H,21,22)InChIKey
QBSUDKNRYJANPU-UHFFFAOYSA-NSynonyms
902044-97-72((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(4chloro2methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(4chloro2methylphenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(4chloro2methylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(4CHLORO2METHYLPHENYL)ACETAMIDE
902044977
CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
InChI=1SC17H18ClN7OSc19710(18)5612(9)2014(26)82717242316(25(17)19)151132413(11)212215h57H24819H21H3(H2026)(H2122)
MFCD07210630
O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009015307
ZINC09015307
ZINC9015307
Check stock
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Check stock on Vitas-MAvailable files
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