Vitas-M small molecule compound
4-[({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-methylbenzoic acid
Catalog ID
STL365105
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-3-26-20(18-11-14-6-4-5-7-17(14)30-18)24-25-22(26)31-12-19(27)23-16-9-8-15(21(28)29)10-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,27)(H,28,29)InChIKey
JAZIBGDKJNGQHZ-UHFFFAOYSA-NSynonyms
4((((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)3methylbenzoicacid
4((2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)3methylbenzoicacid
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C3=CC4=CC=CC=C4O3
InChI=1SC22H20N4O4Sc132620(181114645717(14)3018)242522(26)311219(27)23169815(21(28)29)1013(16)2h411H312H212H3(H2327)(H2829)
MFCD09217112
ZINC000010681895
ZINC10681895
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