Vitas-M small molecule compound
4-{[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STK140936
SMILES Cn1c(SCc2ccc(cc2)C(=O)O)nnc1Cc1ccccc1
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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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c1-21-16(11-13-5-3-2-4-6-13)19-20-18(21)24-12-14-7-9-15(10-8-14)17(22)23/h2-10H,11-12H2,1H3,(H,22,23)InChIKey
KVXGAOXQYIBICW-UHFFFAOYSA-NSynonyms
4(((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4((5BENZYL4METHYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3
InChI=1SC18H17N3O2Sc12116(11135324613)192018(21)2412147915(10814)17(22)23h210H1112H21H3(H2223)
MFCD04342532
ZINC000004419074
ZINC4419074
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