Vitas-M small molecule compound
N-(2-{4-ethyl-5-[(2-oxo-2-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
Catalog ID
STK297381
SMILES CCn1c(SCC(=O)Nc2nnc(s2)C(C)C)nnc1CCNC(=O)c1ccccc1F
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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 C20H24FN7O2S2 MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24FN7O2S2/c1-4-28-15(9-10-22-17(30)13-7-5-6-8-14(13)21)24-27-20(28)31-11-16(29)23-19-26-25-18(32-19)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,22,30)(H,23,26,29)InChIKey
DRRXOVJOKFIWPO-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C(C)C)CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H24FN7O2S2c142815(9102217(30)13756814(13)21)242720(28)311116(29)2319262518(3219)12(2)3h5812H4911H213H3(H2230)(H232629)
MFCD09960960
N(2(4ethyl5((2oxo2((5(propan2yl)134thiadiazol2yl)amino)ethyl)sulfanyl)4H124triazol3yl)ethyl)2fluorobenzamide
N(2(4ETHYL5((5ISOPROPYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ethyl5(2oxo2((5propan2yl134thiadiazol2yl)amino)ethyl)sulfanyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000013956374
ZINC13956374
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