Vitas-M small molecule compound

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

Catalog ID
STK830967
SMILES CCCCCOc1ccc(cc1)CSc1nnc[nH]1

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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/c1-2-3-4-9-18-13-7-5-12(6-8-13)10-19-14-15-11-16-17-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16,17)
InChIKey
MYPQOADYCWMTLJ-UHFFFAOYSA-N
Synonyms
337489-00-6
3((4(pentyloxy)benzyl)sulfanyl)4H124triazole
3((4(pentyloxy)benzyl)thio)4H124triazole
3(4PENTYLOXYBENZYLSULFANYL)4H(124)TRIAZOLE
337489006
4PENTYLOXY1(4H124TRIAZOL3YLTHIOMETHYL)BENZENE
5((4(PENTYLOXY)BENZYL)SULFANYL)1H124TRIAZOLE
5((4AMOXYBENZYL)THIO)1H124TRIAZOLE
5((4PENTOXYPHENYL)METHYLSULFANYL)1H124TRIAZOLE
5((4PENTOXYPHENYL)METHYLTHIO)1H124TRIAZOLE
CCCCCOC1=CC=C(C=C1)CSC2=NC=NN2
CCCCCOc1ccc(cc1)CSc1nnc(nH)1
InChI=1SC14H19N3OSc1234918137512(6813)1019141511161714h5811H24910H21H3(H151617)
MFCD01806870
ZINC000008680609
ZINC08680609
ZINC8680609

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Available files

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