Vitas-M small molecule compound
3-[({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK345975
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1c1ccncc1
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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(12-6-8-19-9-7-12)21-22-18(23)27-11-15(24)20-14-5-3-4-13(10-14)17(25)26/h3-10H,2,11H2,1H3,(H,20,24)(H,25,26)InChIKey
YFZGPYOUHVDLBH-UHFFFAOYSA-NSynonyms
3((((4ethyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=NC=C3
InChI=1SC18H17N5O3Sc122316(1268199712)212218(23)271115(24)201453413(1014)17(25)26h310H211H21H3(H2024)(H2526)
MFCD07437422
ZINC000012857833
ZINC12857833
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