Vitas-M small molecule compound
3-({[(5-{[(furan-2-ylcarbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL183122
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)CNC(=O)c1ccco1
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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 C18H17N5O5S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5S/c1-23-14(9-19-16(25)13-6-3-7-28-13)21-22-18(23)29-10-15(24)20-12-5-2-4-11(8-12)17(26)27/h2-8H,9-10H2,1H3,(H,19,25)(H,20,24)(H,26,27)InChIKey
IGPPOEWBWNOALD-UHFFFAOYSA-NSynonyms
3((((5(((furan2ylcarbonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((furan2carbonylamino)methyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC=CO3
InChI=1SC18H17N5O5Sc12314(91916(25)136372813)212218(23)291015(24)201252411(812)17(26)27h28H910H21H3(H1925)(H2024)(H2627)
MFCD22125461
ZINC000072191533
ZINC72191533
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