Vitas-M small molecule compound
2-fluoro-N-[(5-{[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK231076
SMILES COc1cc(C)c(cc1C)C(=O)CSc1nnc(n1C)CNC(=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 C22H23FN4O3S MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN4O3S/c1-13-10-19(30-4)14(2)9-16(13)18(28)12-31-22-26-25-20(27(22)3)11-24-21(29)15-7-5-6-8-17(15)23/h5-10H,11-12H2,1-4H3,(H,24,29)InChIKey
ICQOSENVVDMCOL-UHFFFAOYSA-NSynonyms
2fluoroN((5((2(4methoxy25dimethylphenyl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)benzamide
2FLUORON((5(2(4METHOXY25DIMETHYLPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F)C)OC
InChI=1SC22H23FN4O3Sc1131019(304)14(2)916(13)18(28)123122262520(27(22)3)112421(29)15756817(15)23h510H1112H214H3(H2429)
MFCD07791868
ZINC000009290083
ZINC09290083
ZINC9290083
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