Vitas-M small molecule compound

2-(hydroxymethyl)-5-[(naphthalen-1-yloxy)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK612944
SMILES C=CCn1c(COc2cccc3c2cccc3)nn(c1=S)CO

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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 C17H17N3O2S MW 327.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O2S/c1-2-10-19-16(18-20(12-21)17(19)23)11-22-15-9-5-7-13-6-3-4-8-14(13)15/h2-9,21H,1,10-12H2
InChIKey
WAYPCOGQUZSWHF-UHFFFAOYSA-N
Synonyms
903861-88-1
2(hydroxymethyl)5((naphthalen1yloxy)methyl)4(prop2en1yl)24dihydro3H124triazole3thione
2(HYDROXYMETHYL)5(NAPHTHALEN1YLOXYMETHYL)4PROP2ENYL124TRIAZOLE3THIONE
4allyl1(hydroxymethyl)3((naphthalen1yloxy)methyl)1H124triazole5(4H)thione
903861881
C=CCN1C(=NN(C1=S)CO)COC2=CC=CC3=CC=CC=C32
InChI=1SC17H17N3O2Sc12101916(1820(1221)17(19)23)11221595713634814(13)15h2921H11012H2
MFCD08285535
ZINC000006662258
ZINC06662258
ZINC6662258

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Available files

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