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-butylphenyl)acetamide
Catalog ID
STL058262
SMILES CCCCc1ccc(cc1)NC(=O)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 C20H25N7OS MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7OS/c1-2-3-5-13-8-10-14(11-9-13)22-17(28)12-29-20-26-25-19(27(20)21)18-15-6-4-7-16(15)23-24-18/h8-11H,2-7,12,21H2,1H3,(H,22,28)(H,23,24)InChIKey
COKIMAUSPXZDFR-UHFFFAOYSA-NSynonyms
902038-05-52((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(4butylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(4butylphenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(4butylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(4BUTYLPHENYL)ACETAMIDE
902038055
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2
CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2
InChI=1SC20H25N7OSc12351381014(11913)2217(28)122920262519(27(20)21)181564716(15)232418h811H271221H21H3(H2228)(H2324)
MFCD07210505
ZINC000009015248
ZINC09015248
ZINC9015248
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.