Vitas-M small molecule compound
N-{[5-({2-[(5-fluoro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Catalog ID
STK117362
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(n1C)SCC(=O)Nc1cc(F)ccc1C
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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 C22H24FN5O4S MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN5O4S/c1-13-5-7-15(23)10-16(13)25-20(29)12-33-22-27-26-19(28(22)2)11-24-21(30)14-6-8-17(31-3)18(9-14)32-4/h5-10H,11-12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
AXBRRDNXUBWNRT-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC22H24FN5O4Sc1135715(23)1016(13)2520(29)123322272619(28(22)2)112421(30)146817(313)18(914)324h510H1112H214H3(H2430)(H2529)
MFCD04127799
N((5((2((5FLUORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((5(2(5FLUORO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
ZINC000001131753
ZINC01131753
ZINC1131753
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