Vitas-M small molecule compound
3-[({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK573667
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1c1ccccc1)c1cccs1
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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 C21H16N4O3S2 MW 436.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S2/c26-18(22-15-7-4-6-14(12-15)20(27)28)13-30-21-24-23-19(17-10-5-11-29-17)25(21)16-8-2-1-3-9-16/h1-12H,13H2,(H,22,26)(H,27,28)InChIKey
SDTXXUAWZNDESH-UHFFFAOYSA-NSynonyms
898056-83-23((((4phenyl5(thiophen2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4PHENYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3(2((4phenyl5(thiophen2yl)4H124triazol3yl)thio)acetamido)benzoicacid
898056832
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CS4
InChI=1SC21H16N4O3S2c2618(221574614(1215)20(27)28)133021242319(17105112917)25(21)168213916h112H13H2(H2226)(H2728)
MFCD06613111
ZINC000002362018
ZINC2362018
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