Vitas-M small molecule compound

2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

Catalog ID
STK400850
SMILES C=CCn1c(SCC(=O)Nc2cccc3c2cccc3)nnc1C

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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 C18H18N4OS MW 338.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4OS/c1-3-11-22-13(2)20-21-18(22)24-12-17(23)19-16-10-6-8-14-7-4-5-9-15(14)16/h3-10H,1,11-12H2,2H3,(H,19,23)
InChIKey
DDXJEULAKMAVJT-UHFFFAOYSA-N
Synonyms

2((5methyl4(prop2en1yl)4H124triazol3yl)sulfanyl)N(naphthalen1yl)acetamide
2((5METHYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)NNAPHTHALEN1YLACETAMIDE
2(5METHYL4PROP2ENYL(124TRIAZOL3YLTHIO))NNAPHTHYLACETAMIDE
CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC3=CC=CC=C32
InChI=1SC18H18N4OSc13112213(2)202118(22)241217(23)1916106814745915(14)16h310H11112H22H3(H1923)
MFCD04885516
ZINC000006726226
ZINC06726226
ZINC6726226

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Available files

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