Vitas-M small molecule compound
4-[({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL151082
SMILES O=C(Nc1ccc(cc1)C(=O)[O-])CSc1[nH+]nc(n1c1ccc(cc1)Br)c1cccnc1
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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 C22H16BrN5O3S MW 510.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN5O3S/c23-16-5-9-18(10-6-16)28-20(15-2-1-11-24-12-15)26-27-22(28)32-13-19(29)25-17-7-3-14(4-8-17)21(30)31/h1-12H,13H2,(H,25,29)(H,30,31)InChIKey
UYHPXNCBNJYVJG-UHFFFAOYSA-NSynonyms
585561-24-64((((4(4bromophenyl)5(pyridin3yl)4H124triazol2ium3yl)sulfanyl)acetyl)amino)benzoate
4((2((4(4BROMOPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOICACID
4(2(4(4BROMOPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOICACID
585561246
C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC22H16BrN5O3Sc23165918(10616)2820(152111241215)262722(28)321319(29)25177314(4817)21(30)31h112H13H2(H2529)(H3031)
MFCD03474689
O=C(Nc1ccc(cc1)C(=O)(O))CSc1(nH+)nc(n1c1ccc(cc1)Br)c1cccnc1
ZINC000002392510
ZINC2392510
Check stock
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Check stock on Vitas-MAvailable files
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