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}-1-(4-methoxyphenyl)ethanone
Catalog ID
STL058255
SMILES COc1ccc(cc1)C(=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 C17H18N6O2S MW 370.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O2S/c1-25-11-7-5-10(6-8-11)14(24)9-26-17-22-21-16(23(17)18)15-12-3-2-4-13(12)19-20-15/h5-8H,2-4,9,18H2,1H3,(H,19,20)InChIKey
KDHBKGDTWSEYHH-UHFFFAOYSA-NSynonyms
900887-93-62((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
900887936
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4
COc1ccc(cc1)C(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2
COc1ccc(cc1)C(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2
InChI=1SC17H18N6O2Sc125117510(6811)14(24)92617222116(23(17)18)151232413(12)192015h58H24918H21H3(H1920)
MFCD07211200
ZINC000009320227
ZINC09320227
ZINC9320227
Check stock
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Check stock on Vitas-MAvailable files
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