Vitas-M small molecule compound

5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK132013
SMILES C=CCn1c(nnc1S)Cc1ccc(cc1)OC

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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 C13H15N3OS MW 261.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-3-8-16-12(14-15-13(16)18)9-10-4-6-11(17-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,15,18)
InChIKey
JPOUKOSETNCWJH-UHFFFAOYSA-N
Synonyms
69198-37-4
3((4METHOXYPHENYL)METHYL)4(PROP2EN1YL)45DIHYDRO1H124TRIAZOLE5THIONE
3((4METHOXYPHENYL)METHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(4METHOXYBENZYL)4H(124)TRIAZOLE3THIOL
4ALLYL5(4METHOXYBENZYL)4H124TRIAZOL3YLHYDROSULFIDE
4ALLYL5(4METHOXYBENZYL)4H124TRIAZOLE3THIOL
4ALLYL54H(124)TRIAZOLE3THIOL
5((4METHOXYPHENYL)METHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5((4METHOXYPHENYL)METHYL)4(PROP2EN1YL)2H124TRIAZOLE3THIONE
5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOLE3THIOL
5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOLE3THIOL
69198374
COC1=CC=C(C=C1)CC2=NNC(=S)N2CC=C
InChI=1SC13H15N3OSc1381612(141513(16)18)9104611(172)7510h37H189H22H3(H1518)
MFCD03945806
ZINC000005910830
ZINC05910830
ZINC5910830

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Available files

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