Vitas-M small molecule compound
4-(4-ethylphenyl)-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445210
SMILES COCc1nnc(n1c1ccc(cc1)CC)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)15-11(8-16-2)13-14-12(15)17/h4-7H,3,8H2,1-2H3,(H,14,17)InChIKey
RKVRQPMMARUKKI-UHFFFAOYSA-NSynonyms
4(4ethylphenyl)3(methoxymethyl)1H124triazole5thione
4(4ETHYLPHENYL)5(METHOXYMETHYL)124TRIAZOLE3THIOL
4(4ethylphenyl)5(methoxymethyl)4H124triazole3thiol
CCC1=CC=C(C=C1)N2C(=NNC2=S)COC
InChI=1SC12H15N3OSc1394610(759)1511(8162)131412(15)17h47H38H212H3(H1417)
MFCD04058086
ZINC000006395144
ZINC06395144
ZINC6395144
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