Vitas-M small molecule compound
4-(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)benzoic acid
Catalog ID
STK444781
SMILES CCc1nnc(n1c1ccc(cc1)C(=O)O)S
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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 C11H11N3O2S MW 249.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N3O2S/c1-2-9-12-13-11(17)14(9)8-5-3-7(4-6-8)10(15)16/h3-6H,2H2,1H3,(H,13,17)(H,15,16)InChIKey
ZHJYREFULMVPAX-UHFFFAOYSA-NSynonyms
4(3ethyl5sulfanyl4H124triazol4yl)benzoicacid
4(3ethyl5sulfanylidene1H124triazol4yl)benzoicacid
4(5ETHYL3SULFANYL124TRIAZOL4YL)BENZOICACID
CCC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)O
InChI=1SC11H11N3O2Sc129121311(17)14(9)8537(468)10(15)16h36H2H21H3(H1317)(H1516)
MFCD04057397
ZINC000006395519
ZINC6395519
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