Vitas-M small molecule compound

5-ethyl-4-[(2,3,4-trimethoxybenzyl)amino]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK283906
SMILES COc1ccc(c(c1OC)OC)CNn1c(S)nnc1CC

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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 C14H20N4O3S MW 324.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O3S/c1-5-11-16-17-14(22)18(11)15-8-9-6-7-10(19-2)13(21-4)12(9)20-3/h6-7,15H,5,8H2,1-4H3,(H,17,22)
InChIKey
DEZMXQDBTQDWDQ-UHFFFAOYSA-N
Synonyms

3ETHYL4((234TRIMETHOXYPHENYL)METHYLAMINO)1H124TRIAZOLE5THIONE
5ETHYL4((234TRIMETHOXYBENZYL)AMINO)4H124TRIAZOL3YLHYDROSULFIDE
5ethyl4((234trimethoxybenzyl)amino)4H124triazole3thiol
CCC1=NNC(=S)N1NCC2=C(C(=C(C=C2)OC)OC)OC
InChI=1SC14H20N4O3Sc1511161714(22)18(11)15896710(192)13(214)12(9)203h6715H58H214H3(H1722)
MFCD07363225
ZINC000004843084
ZINC04843084
ZINC4843084

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.