Vitas-M small molecule compound
3-[({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK696758
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1c1cc2c(o1)cccc2
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-2-25-19(17-11-13-6-3-4-9-16(13)29-17)23-24-21(25)30-12-18(26)22-15-8-5-7-14(10-15)20(27)28/h3-11H,2,12H2,1H3,(H,22,26)(H,27,28)InChIKey
HDSXMAYHVHTGCY-UHFFFAOYSA-NSynonyms
929835-10-93((((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(1BENZOFURAN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3(2((5(benzofuran2yl)4ethyl4H124triazol3yl)thio)acetamido)benzoicacid
929835109
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=CC=CC=C4O3
InChI=1SC21H18N4O4Sc122519(171113634916(13)2917)232421(25)301218(26)221585714(1015)20(27)28h311H212H21H3(H2226)(H2728)
MFCD09475997
ZINC000009484804
ZINC9484804
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