Vitas-M small molecule compound
{4-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}(diphenyl)methanol
Catalog ID
STK450344
SMILES COc1ccc(cc1OC)CCn1c(S)nnc1C(c1ccccc1)(c1ccccc1)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-30-21-14-13-18(17-22(21)31-2)15-16-28-23(26-27-24(28)32)25(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,29H,15-16H2,1-2H3,(H,27,32)InChIKey
GYEYXDHJSXJBDH-UHFFFAOYSA-NSynonyms
(4(2(34DIMETHOXYPHENYL)ETHYL)5SULFANYL(124TRIAZOL3YL))DIPHENYLMETHAN1OL
(4(2(34dimethoxyphenyl)ethyl)5sulfanyl4H124triazol3yl)(diphenyl)methanol
4(2(34dimethoxyphenyl)ethyl)3(hydroxy(diphenyl)methyl)1H124triazole5thione
COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OC
InChI=1SC25H25N3O3Sc13021141318(1722(21)312)15162823(262724(28)32)25(291995361019)20117481220h3141729H1516H212H3(H2732)
MFCD06758113
ZINC000019646276
ZINC19646276
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