Vitas-M small molecule compound

5-cyclopropyl-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK736443
SMILES Sc1nnc(n1C(c1ccccc1)C)C1CC1

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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 C13H15N3S MW 245.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3S/c1-9(10-5-3-2-4-6-10)16-12(11-7-8-11)14-15-13(16)17/h2-6,9,11H,7-8H2,1H3,(H,15,17)
InChIKey
HJLNYRJDIFXGMM-UHFFFAOYSA-N
Synonyms
893764-69-7
3CYCLOPROPYL4(1PHENYLETHYL)1H124TRIAZOLE5THIONE
4H124TRIAZOLE3THIOL5CYCLOPROPYL4(1PHENYLETHYL)
5cyclopropyl4(1phenylethyl)4H124triazole3thiol
5CYCLOPROPYL4(PHENYLETHYL)124TRIAZOLE3THIOL
893764697
CC(C1=CC=CC=C1)N2C(=NNC2=S)C3CC3
InChI=1SC13H15N3Sc19(105324610)1612(117811)141513(16)17h26911H78H21H3(H1517)
MFCD07658077
ZINC000004779412
ZINC000004779413

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Available files

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