Vitas-M small molecule compound

3-ethyl-5-{[4-(3-methylbutoxy)benzyl]sulfanyl}-1H-1,2,4-triazole

Catalog ID
STK846075
SMILES CCc1n[nH]c(n1)SCc1ccc(cc1)OCCC(C)C

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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 C16H23N3OS MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3OS/c1-4-15-17-16(19-18-15)21-11-13-5-7-14(8-6-13)20-10-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,19)
InChIKey
URKPDGAHDBHJHF-UHFFFAOYSA-N
Synonyms
672894-19-8
3ethyl5((4(3methylbutoxy)benzyl)sulfanyl)1H124triazole
3ethyl5((4(isopentyloxy)benzyl)thio)4H124triazole
5ETHYL3((4(3METHYLBUTOXY)PHENYL)METHYLSULFANYL)1H124TRIAZOLE
CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCCC(C)C
CCc1n(nH)c(n1)SCc1ccc(cc1)OCCC(C)C
CCc1nnc((nH)1)SCc1ccc(cc1)OCCC(C)C
Registry IDs
MFCD03813230
ZINC000005686699
ZINC05686699
ZINC5686699

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Available files

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