Vitas-M small molecule compound
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK684183
SMILES COc1cc(/C=C/c2nnc([nH]2)S)ccc1OC
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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-16-9-5-3-8(7-10(9)17-2)4-6-11-13-12(18)15-14-11/h3-7H,1-2H3,(H2,13,14,15,18)/b6-4+InChIKey
TYYZIQLCEXHHHL-GQCTYLIASA-NSynonyms
695219-22-85((E)2(34DIMETHOXYPHENYL)ETHENYL)12DIHYDRO124TRIAZOLE3THIONE
5((E)2(34dimethoxyphenyl)ethenyl)4H124triazole3thiol
5((E)2(34DIMETHOXYPHENYL)VINYL)12DIHYDRO124TRIAZOLE3THIONE
5(2(34DIMETHOXYPHENYL)VINYL)12DIHYDRO3H124TRIAZOLE3THIONE
695219228
COC1=C(C=C(C=C1)C=CC2=NC(=S)NN2)OC
COc1cc(C=Cc2nnc((nH)2)S)ccc1OC
InChI=1SC12H13N3O2Sc1169538(710(9)172)46111312(18)151411h37H12H3(H213141518)b64+
MFCD05259898
ZINC000016957326
ZINC16957326
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