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-(2,4,6-trimethylphenyl)acetamide

Catalog ID
STK591781
SMILES O=C(Nc1c(C)cc(cc1C)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 C19H23N7OS MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N7OS/c1-10-7-11(2)16(12(3)8-10)21-15(27)9-28-19-25-24-18(26(19)20)17-13-5-4-6-14(13)22-23-17/h7-8H,4-6,9,20H2,1-3H3,(H,21,27)(H,22,23)
InChIKey
CPBQXOMGGKDPCD-UHFFFAOYSA-N
Synonyms
902029-20-3
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)N(246trimethylphenyl)acetamide
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)Nmesitylacetamide
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)N(246trimethylphenyl)acetamide
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(246TRIMETHYLPHENYL)ACETAMIDE
902029203
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)C
InChI=1SC19H23N7OSc110711(2)16(12(3)810)2115(27)92819252418(26(19)20)171354614(13)222317h78H46920H213H3(H2127)(H2223)
MFCD07205705
O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1N)c1(nH)nc2c1CCC2
O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1N)c1n(nH)c2c1CCC2
ZINC000009089068
ZINC09089068
ZINC9089068

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.