Vitas-M small molecule compound

5-{1-[4-(propan-2-yl)phenoxy]ethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK499872
SMILES C=CCn1c(S)nnc1C(Oc1ccc(cc1)C(C)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 C16H21N3OS MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-5-10-19-15(17-18-16(19)21)12(4)20-14-8-6-13(7-9-14)11(2)3/h5-9,11-12H,1,10H2,2-4H3,(H,18,21)
InChIKey
DZYYYQRCJZNLLM-UHFFFAOYSA-N
Synonyms
861239-71-6
3(1(4propan2ylphenoxy)ethyl)4prop2enyl1H124triazole5thione
4ALLYL5(1(4ISOPROPYLPHENOXY)ETHYL)4H124TRIAZOLE3THIOL
5(1(4(PROPAN2YL)PHENOXY)ETHYL)4(PROP2EN1YL)4H124TRIAZOLE3THIOL
5(1(4ISOPROPYLPHENOXY)ETHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
861239716
CC(C)C1=CC=C(C=C1)OC(C)C2=NNC(=S)N2CC=C
InChI=1SC16H21N3OSc15101915(171816(19)21)12(4)20148613(7914)11(2)3h591112H110H224H3(H1821)
MFCD04968911
ZINC000002536751
ZINC000015933429

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Available files

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