Vitas-M small molecule compound
4-(3-{[(2-methylbenzyl)sulfanyl]methyl}-5-sulfanyl-4H-1,2,4-triazol-4-yl)benzoic acid
Catalog ID
STK445608
SMILES Cc1ccccc1CSCc1nnc(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 C18H17N3O2S2 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S2/c1-12-4-2-3-5-14(12)10-25-11-16-19-20-18(24)21(16)15-8-6-13(7-9-15)17(22)23/h2-9H,10-11H2,1H3,(H,20,24)(H,22,23)InChIKey
ZNBWTOQDHWWXIW-UHFFFAOYSA-NSynonyms
4(3(((2methylbenzyl)sulfanyl)methyl)5sulfanyl4H124triazol4yl)benzoicacid
4(3((2methylphenyl)methylsulfanylmethyl)5sulfanylidene1H124triazol4yl)benzoicacid
4(5(((2METHYLPHENYL)METHYLTHIO)METHYL)3SULFANYL124TRIAZOL4YL)BENZOICACID
CC1=CC=CC=C1CSCC2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
InChI=1SC18H17N3O2S2c112423514(12)10251116192018(24)21(16)158613(7915)17(22)23h29H1011H21H3(H2024)(H2223)
MFCD04058079
ZINC000020418658
ZINC20418658
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