Vitas-M small molecule compound
4-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK542718
SMILES CCSc1nnc(n1c1ccc(cc1)C(=O)O)C
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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-3-18-12-14-13-8(2)15(12)10-6-4-9(5-7-10)11(16)17/h4-7H,3H2,1-2H3,(H,16,17)InChIKey
NGPWIESDBJWWPT-UHFFFAOYSA-NSynonyms
488708-33-44(3(ethylsulfanyl)5methyl4H124triazol4yl)benzoicacid
4(3(ethylthio)5methyl4H124triazol4yl)benzoicacid
4(3ETHYLSULFANYL5METHYL124TRIAZOL4YL)BENZOICACID
488708334
CCSC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C
InChI=1SC12H13N3O2Sc13181214138(2)15(12)10649(5710)11(16)17h47H3H212H3(H1617)
MFCD03290703
ZINC000004082767
ZINC4082767
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