Vitas-M small molecule compound
4-cyclopropyl-5-(3,4-diethoxybenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK305888
SMILES CCOc1cc(ccc1OCC)Cc1nnc(n1C1CC1)S
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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 C16H21N3O2S MW 319.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S/c1-3-20-13-8-5-11(9-14(13)21-4-2)10-15-17-18-16(22)19(15)12-6-7-12/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,22)InChIKey
DZQIXSKCATUDMX-UHFFFAOYSA-NSynonyms
676522-55-74cyclopropyl3((34diethoxyphenyl)methyl)1H124triazole5thione
4cyclopropyl5(34diethoxybenzyl)4H124triazole3thiol
676522557
CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2C3CC3)OCC
InChI=1SC16H21N3O2Sc1320138511(914(13)2142)1015171816(22)19(15)126712h58912H346710H212H3(H1822)
MFCD04046372
ZINC000002787894
ZINC02787894
ZINC2787894
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