Vitas-M small molecule compound

5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK415339
SMILES CCc1ccc(cc1)OCc1nnc(n1C)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 C12H15N3OS MW 249.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3OS/c1-3-9-4-6-10(7-5-9)16-8-11-13-14-12(17)15(11)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKey
YHIVGGHVQQBYNR-UHFFFAOYSA-N
Synonyms
667435-97-4
3((4ETHYLPHENOXY)METHYL)4METHYL124TRIAZOLINE5THIONE
3((4ETHYLPHENOXY)METHYL)4METHYL1H124TRIAZOLE5THIONE
5((4ETHYLPHENOXY)METHYL)4METHYL124TRIAZOLE3THIOL
5((4ETHYLPHENOXY)METHYL)4METHYL24DIHYDRO3H124TRIAZOLE3THIONE
5((4ethylphenoxy)methyl)4methyl4H124triazole3thiol
5(4ETHYLPHENOXYMETHYL)4METHYL124TRIAZOLE3THIOL
667435974
CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C
InChI=1SC12H15N3OSc1394610(759)16811131412(17)15(11)2h47H38H212H3(H1417)
MFCD03900480
ZINC000002571066
ZINC2571066

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Available files

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