Vitas-M small molecule compound
4-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STL039026
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O
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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 C18H17N3O5S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O5S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-19-20-18(27)21(16)12-6-4-10(5-7-12)17(22)23/h4-9H,1-3H3,(H,20,27)(H,22,23)InChIKey
BDIZPKSQWYVRKR-UHFFFAOYSA-NSynonyms
676157-31-64(5SULFANYLIDENE3(345TRIMETHOXYPHENYL)1H124TRIAZOL4YL)BENZOICACID
4(5thioxo3(345trimethoxyphenyl)15dihydro4H124triazol4yl)benzoicacid
676157316
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1c1ccc(cc1)C(=O)O
InChI=1SC18H17N3O5Sc12413811(914(252)15(13)263)16192018(27)21(16)126410(5712)17(22)23h49H13H3(H2027)(H2223)
MFCD04080121
ZINC000002388713
ZINC2388713
Check stock
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