Vitas-M small molecule compound

4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK664429
SMILES Cn1c(nnc1S)Cc1cccc2c1cccc2

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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 C14H13N3S MW 255.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3S/c1-17-13(15-16-14(17)18)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,16,18)
InChIKey
ZMUBDNAIQCGGOU-UHFFFAOYSA-N
Synonyms
51291-32-8
4METHYL3(NAPHTHALEN1YLMETHYL)1H124TRIAZOLE5THIONE
4METHYL5(1NAPHTHYLMETHYL)4H124TRIAZOLE3THIOL
4methyl5(naphthalen1ylmethyl)4H124triazole3thiol
4METHYL5(NAPHTHYLMETHYL)124TRIAZOLE3THIOL
51291328
CN1C(=NNC1=S)CC2=CC=CC3=CC=CC=C32
InChI=1SC14H13N3Sc11713(151614(17)18)91174610523812(10)11h28H9H21H3(H1618)
MFCD01907099
ZINC000006557187
ZINC06557187
ZINC6557187

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Available files

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