Vitas-M small molecule compound
N-{2-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK297182
SMILES CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC1CCCCC1C
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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 C22H30FN5O2S MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30FN5O2S/c1-3-28-19(12-13-24-21(30)16-9-5-6-10-17(16)23)26-27-22(28)31-14-20(29)25-18-11-7-4-8-15(18)2/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3,(H,24,30)(H,25,29)InChIKey
FGPJLSZJLWCTEO-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2CCCCC2C)CCNC(=O)C3=CC=CC=C3F
InChI=1SC22H30FN5O2Sc132819(12132421(30)169561017(16)23)262722(28)311420(29)25181174815(18)2h569101518H34781114H212H3(H2430)(H2529)
MFCD09960778
N(2(4ETHYL5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ETHYL5((2METHYLCYCLOHEXYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ethyl5(2((2methylcyclohexyl)amino)2oxoethyl)sulfanyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000013955855
ZINC000013955863
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