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-(2-chloro-4,6-dimethylphenyl)acetamide
Catalog ID
STL058196
SMILES O=C(Nc1c(C)cc(cc1Cl)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 C18H20ClN7OS MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN7OS/c1-9-6-10(2)15(12(19)7-9)21-14(27)8-28-18-25-24-17(26(18)20)16-11-4-3-5-13(11)22-23-16/h6-7H,3-5,8,20H2,1-2H3,(H,21,27)(H,22,23)InChIKey
ASZBVHKYTILCBR-UHFFFAOYSA-NSynonyms
900885-89-42((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(2chloro46dimethylphenyl)acetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(2CHLORO46DIMETHYLPHENYL)ACETAMIDE
900885894
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)C
InChI=1SC18H20ClN7OSc19610(2)15(12(19)79)2114(27)82818252417(26(18)20)161143513(11)222316h67H35820H212H3(H2127)(H2223)
MFCD07211730
O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009324652
ZINC09324652
ZINC9324652
Check stock
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Check stock on Vitas-MAvailable files
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