Vitas-M small molecule compound

4-(4-ethoxyphenyl)-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445206
SMILES CCOc1ccc(cc1)n1c(S)nnc1COC

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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 C12H15N3O2S MW 265.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2S/c1-3-17-10-6-4-9(5-7-10)15-11(8-16-2)13-14-12(15)18/h4-7H,3,8H2,1-2H3,(H,14,18)
InChIKey
USJHFBYGCZUGEO-UHFFFAOYSA-N
Synonyms

4(4ethoxyphenyl)3(methoxymethyl)1H124triazole5thione
4(4ETHOXYPHENYL)5(METHOXYMETHYL)124TRIAZOLE3THIOL
4(4ethoxyphenyl)5(methoxymethyl)4H124triazole3thiol
CCOC1=CC=C(C=C1)N2C(=NNC2=S)COC
InChI=1SC12H15N3O2Sc131710649(5710)1511(8162)131412(15)18h47H38H212H3(H1418)
MFCD04057873
ZINC000006393665
ZINC06393665
ZINC6393665

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Available files

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