Vitas-M small molecule compound
4-[3-(furan-2-yl)-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK333658
SMILES O=C(Nc1ccccc1)CSc1nnc(n1c1ccc(cc1)C(=O)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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c26-18(22-15-5-2-1-3-6-15)13-30-21-24-23-19(17-7-4-12-29-17)25(21)16-10-8-14(9-11-16)20(27)28/h1-12H,13H2,(H,22,26)(H,27,28)InChIKey
CLLOFCNPRDVBKL-UHFFFAOYSA-NSynonyms
799828-35-64(3(2ANILINO2OXOETHYL)SULFANYL5(FURAN2YL)124TRIAZOL4YL)BENZOICACID
4(3(furan2yl)5((2oxo2(phenylamino)ethyl)sulfanyl)4H124triazol4yl)benzoicacid
4(3(furan2yl)5((2oxo2(phenylamino)ethyl)thio)4H124triazol4yl)benzoicacid
799828356
C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CO4
InChI=1SC21H16N4O4Sc2618(22155213615)133021242319(1774122917)25(21)1610814(91116)20(27)28h112H13H2(H2226)(H2728)
MFCD03683680
ZINC000002240561
ZINC2240561
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