Vitas-M small molecule compound
4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STK695928
SMILES OC(=O)c1ccc(cc1)CSc1nncn1C
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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/c1-14-7-12-13-11(14)17-6-8-2-4-9(5-3-8)10(15)16/h2-5,7H,6H2,1H3,(H,15,16)InChIKey
CAYDHVWSEGPOJR-UHFFFAOYSA-NSynonyms
4(((4methyl4H124triazol3yl)sulfanyl)methyl)benzoicacid
4(((4METHYL4H124TRIAZOL3YL)THIO)METHYL)BENZOICACID
4((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4METHYL124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4(4METHYL4H(124)TRIAZOL3YLSULFANYLMETHYL)BENZOICACID
CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)O
InChI=1SC11H11N3O2Sc1147121311(14)1768249(538)10(15)16h257H6H21H3(H1516)
MFCD01460025
ZINC000000133742
ZINC133742
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