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-(3,5-dimethylphenyl)acetamide
Catalog ID
STK590046
SMILES O=C(Nc1cc(C)cc(c1)C)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 C18H21N7OS MW 383.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7OS/c1-10-6-11(2)8-12(7-10)20-15(26)9-27-18-24-23-17(25(18)19)16-13-4-3-5-14(13)21-22-16/h6-8H,3-5,9,19H2,1-2H3,(H,20,26)(H,21,22)InChIKey
WHWBAXFHXCWNEU-UHFFFAOYSA-NSynonyms
900290-90-62((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(35dimethylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(35dimethylphenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(35dimethylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(35DIMETHYLPHENYL)ACETAMIDE
900290906
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)C
InChI=1SC18H21N7OSc110611(2)812(710)2015(26)92718242317(25(18)19)161343514(13)212216h68H35919H212H3(H2026)(H2122)
MFCD07198567
O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009331227
ZINC09331227
ZINC9331227
Check stock
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Check stock on Vitas-MAvailable files
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