Vitas-M small molecule compound

4-[4-(butan-2-yl)phenyl]-5-(methoxymethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445201
SMILES COCc1nnc(n1c1ccc(cc1)C(CC)C)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 C14H19N3OS MW 277.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3OS/c1-4-10(2)11-5-7-12(8-6-11)17-13(9-18-3)15-16-14(17)19/h5-8,10H,4,9H2,1-3H3,(H,16,19)
InChIKey
UODTYVGSIIOAEL-UHFFFAOYSA-N
Synonyms

4(4(butan2yl)phenyl)5(methoxymethyl)4H124triazole3thiol
4(4butan2ylphenyl)3(methoxymethyl)1H124triazole5thione
5(METHOXYMETHYL)4(4(METHYLPROPYL)PHENYL)124TRIAZOLE3THIOL
CCC(C)C1=CC=C(C=C1)N2C(=NNC2=S)COC
InChI=1SC14H19N3OSc1410(2)115712(8611)1713(9183)151614(17)19h5810H49H213H3(H1619)
MFCD04058164
ZINC000006394165
ZINC000006394383

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Available files

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