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-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK584095
SMILES COc1cc(ccc1OC)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 C18H20N6O3S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O3S/c1-26-14-7-6-10(8-15(14)27-2)13(25)9-28-18-23-22-17(24(18)19)16-11-4-3-5-12(11)20-21-16/h6-8H,3-5,9,19H2,1-2H3,(H,20,21)InChIKey
JOJIFLSPZAQVMQ-UHFFFAOYSA-NSynonyms
902017-82-72((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2((4amino5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)thio)1(34dimethoxyphenyl)ethanone
2((4amino5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2(4AMINO5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOL3YLTHIO))1(34DIMETHOXYPHENYL)ETHAN1ONE
902017827
COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)OC
COc1cc(ccc1OC)C(=O)CSc1nnc(n1N)c1(nH)nc2c1CCC2
COc1cc(ccc1OC)C(=O)CSc1nnc(n1N)c1n(nH)c2c1CCC2
InChI=1SC18H20N6O3Sc126147610(815(14)272)13(25)92818232217(24(18)19)161143512(11)202116h68H35919H212H3(H2021)
MFCD07208531
ZINC000009013090
ZINC09013090
ZINC9013090
Check stock
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Check stock on Vitas-MAvailable files
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