Vitas-M small molecule compound
4-methoxy-N-({4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK116449
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C(F)(F)F
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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 C21H20F3N5O3S MW 479.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O3S/c1-29-17(11-25-19(31)13-6-8-16(32-2)9-7-13)27-28-20(29)33-12-18(30)26-15-5-3-4-14(10-15)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,31)(H,26,30)InChIKey
GRPDJAWGZNEARB-UHFFFAOYSA-NSynonyms
4METHOXYN((4METHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((4METHYL5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H20F3N5O3Sc12917(112519(31)136816(322)9713)272820(29)331218(30)261553414(1015)21(2223)24h310H1112H212H3(H2531)(H2630)
MFCD04127963
ZINC000001121100
ZINC01121100
ZINC1121100
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