Vitas-M small molecule compound
4-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL195686
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1C)c1ccc(cc1)Br
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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 C18H15BrN4O3S MW 447.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN4O3S/c1-23-16(11-2-6-13(19)7-3-11)21-22-18(23)27-10-15(24)20-14-8-4-12(5-9-14)17(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)InChIKey
RMBYXYGWJSFZQU-UHFFFAOYSA-NSynonyms
4((((5(4bromophenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5(4BROMOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br
InChI=1SC18H15BrN4O3Sc12316(112613(19)7311)212218(23)271015(24)20148412(5914)17(25)26h29H10H21H3(H2024)(H2526)
MFCD05993098
ZINC000002861327
ZINC2861327
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