Vitas-M small molecule compound
3-({[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL365993
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(cc1)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 C20H20FN5O5S2 MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN5O5S2/c1-25-17(11-26(33(2,30)31)16-8-6-14(21)7-9-16)23-24-20(25)32-12-18(27)22-15-5-3-4-13(10-15)19(28)29/h3-10H,11-12H2,1-2H3,(H,22,27)(H,28,29)InChIKey
WQMVIYFLZOAOLQ-UHFFFAOYSA-NSynonyms
3((((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC20H20FN5O5S2c12517(1126(33(230)31)168614(21)7916)232420(25)321218(27)221553413(1015)19(28)29h310H1112H212H3(H2227)(H2829)
MFCD14833732
ZINC000015019794
ZINC15019794
Check stock
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