Vitas-M small molecule compound

2-{[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide

Catalog ID
STL144860
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n[nH]c2c1CCC2

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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/c1-9-5-6-10(18)7-13(9)20-14(26)8-27-17-24-23-16(25(17)19)15-11-3-2-4-12(11)21-22-15/h5-7H,2-4,8,19H2,1H3,(H,20,26)(H,21,22)
InChIKey
GDHRJCKXJDMUHI-UHFFFAOYSA-N
Synonyms
900894-43-1
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(5chloro2methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(5chloro2methylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)N(5chloro2methylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(5CHLORO2METHYLPHENYL)ACETAMIDE
900894431
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
InChI=1SC17H18ClN7OSc195610(18)713(9)2014(26)82717242316(25(17)19)151132412(11)212215h57H24819H21H3(H2026)(H2122)
MFCD06777444
O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000008972736
ZINC08972736
ZINC8972736

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Available files

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