Vitas-M small molecule compound
4-[2-(3,4-diethoxyphenyl)ethyl]-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173988
SMILES CCOc1cc(CCn2c(S)nnc2CC23CC4CC(C3)CC(C2)C4)ccc1OCC
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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 C25H35N3O2S MW 441.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O2S/c1-3-29-21-6-5-17(12-22(21)30-4-2)7-8-28-23(26-27-24(28)31)16-25-13-18-9-19(14-25)11-20(10-18)15-25/h5-6,12,18-20H,3-4,7-11,13-16H2,1-2H3,(H,27,31)InChIKey
VPPYNDCFJLBWHZ-UHFFFAOYSA-NSynonyms
828288-35-33(1ADAMANTYLMETHYL)4(2(34DIETHOXYPHENYL)ETHYL)1H124TRIAZOLE5THIONE
4(2(34diethoxyphenyl)ethyl)5(tricyclo(3311~37~)dec1ylmethyl)4H124triazole3thiol
828288353
CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4)OCC
InChI=1SC25H35N3O2Sc1329216517(1222(21)3042)782823(262724(28)31)16251318919(1425)1120(1018)1525h56121820H347111316H212H3(H2731)
ZINC000033797169
ZINC33797169
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