Vitas-M small molecule compound
2-chloro-5-[3-(3-methylthiophen-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK634145
SMILES OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1sccc1C
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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 C14H10ClN3O2S2 MW 351.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10ClN3O2S2/c1-7-4-5-22-11(7)12-16-17-14(21)18(12)8-2-3-10(15)9(6-8)13(19)20/h2-6H,1H3,(H,17,21)(H,19,20)InChIKey
LMWJWXFLWXBOCM-UHFFFAOYSA-NSynonyms
1010898-59-51010898595
2chloro5(3(3methylthiophen2yl)5sulfanylidene1H124triazol4yl)benzoicacid
2chloro5(3(3methylthiophen2yl)5thioxo15dihydro4H124triazol4yl)benzoicacid
CC1=C(SC=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC14H10ClN3O2S2c17452211(7)12161714(21)18(12)82310(15)9(68)13(19)20h26H1H3(H1721)(H1920)
MFCD18160308
OC(=O)c1cc(ccc1Cl)n1c(=S)(nH)nc1c1sccc1C
ZINC000012324676
ZINC12324676
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