Vitas-M small molecule compound
3-{[3-(3-methylthiophen-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK637193
SMILES OC(=O)c1cccc(c1)Cn1c(=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 C15H13N3O2S2 MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O2S2/c1-9-5-6-22-12(9)13-16-17-15(21)18(13)8-10-3-2-4-11(7-10)14(19)20/h2-7H,8H2,1H3,(H,17,21)(H,19,20)InChIKey
IDXMJFUWNWPZEX-UHFFFAOYSA-NSynonyms
1010899-84-91010899849
3((3(3METHYLTHIOPHEN2YL)5SULFANYL124TRIAZOL4YL)METHYL)BENZOICACID
3((3(3methylthiophen2yl)5sulfanylidene1H124triazol4yl)methyl)benzoicacid
3((3(3methylthiophen2yl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
CC1=C(SC=C1)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)O
InChI=1SC15H13N3O2S2c19562212(9)13161715(21)18(13)81032411(710)14(19)20h27H8H21H3(H1721)(H1920)
MFCD18161300
OC(=O)c1cccc(c1)Cn1c(=S)(nH)nc1c1sccc1C
ZINC000012391714
ZINC12391714
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