Vitas-M small molecule compound
4-[({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK245465
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-2-11-26-20(18-12-15-5-3-4-6-17(15)30-18)24-25-22(26)31-13-19(27)23-16-9-7-14(8-10-16)21(28)29/h2-10,12H,1,11,13H2,(H,23,27)(H,28,29)InChIKey
PUODKEDFJSBXQU-UHFFFAOYSA-NSynonyms
4((((5(1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2(4ALLYL5BENZOFURAN2YL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACID
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC4=CC=CC=C4O3
InChI=1SC22H18N4O4Sc12112620(181215534617(15)3018)242522(26)311319(27)23169714(81016)21(28)29h21012H11113H2(H2327)(H2829)
MFCD08670013
ZINC000009306074
ZINC9306074
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