Vitas-M small molecule compound
4-(2,1,3-benzoxadiazol-4-yl)-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK645706
SMILES COc1cc(ccc1OC)c1n[nH]c(=S)n1c1cccc2c1non2
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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 C16H13N5O3S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c1-22-12-7-6-9(8-13(12)23-2)15-17-18-16(25)21(15)11-5-3-4-10-14(11)20-24-19-10/h3-8H,1-2H3,(H,18,25)InChIKey
OWCBWARFTUUWJP-UHFFFAOYSA-NSynonyms
951977-56-34(213benzoxadiazol4yl)3(34dimethoxyphenyl)1H124triazole5thione
4(213benzoxadiazol4yl)5(34dimethoxyphenyl)24dihydro3H124triazole3thione
951977563
COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=CC4=NON=C43)OC
COc1cc(ccc1OC)c1n(nH)c(=S)n1c1cccc2c1non2
InChI=1SC16H13N5O3Sc12212769(813(12)232)15171816(25)21(15)115341014(11)20241910h38H12H3(H1825)
MFCD18164003
ZINC000013692095
ZINC13692095
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