Vitas-M small molecule compound
4-[({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182580
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1cccnc1
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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 C18H17N5O3S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S/c1-2-23-16(13-4-3-9-19-10-13)21-22-18(23)27-11-15(24)20-14-7-5-12(6-8-14)17(25)26/h3-10H,2,11H2,1H3,(H,20,24)(H,25,26)InChIKey
LBWNFXLHPJRAQX-UHFFFAOYSA-NSynonyms
4((((4ethyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((4ethyl5pyridin3yl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3
InChI=1SC18H17N5O3Sc122316(13439191013)212218(23)271115(24)20147512(6814)17(25)26h310H211H21H3(H2024)(H2526)
MFCD22125472
ZINC000072191547
ZINC72191547
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