Vitas-M small molecule compound
4-[({[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL183120
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1cc2c(o1)c(OC)ccc2
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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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-3-11-27-21(18-12-15-5-4-6-17(31-2)20(15)32-18)25-26-23(27)33-13-19(28)24-16-9-7-14(8-10-16)22(29)30/h3-10,12H,1,11,13H2,2H3,(H,24,28)(H,29,30)InChIKey
VVQOKBNOUJSLGK-UHFFFAOYSA-NSynonyms
4((((5(7methoxy1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5(7methoxy1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC23H20N4O5Sc13112721(18121554617(312)20(15)3218)252623(27)331319(28)24169714(81016)22(29)30h31012H11113H22H3(H2428)(H2930)
MFCD22125446
ZINC000072191518
ZINC72191518
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