Vitas-M small molecule compound

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

Catalog ID
STK401119
SMILES C=CCn1c(SCC(=O)N)nnc1c1ccc(cc1)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 C14H16N4OS MW 288.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4OS/c1-3-8-18-13(11-6-4-10(2)5-7-11)16-17-14(18)20-9-12(15)19/h3-7H,1,8-9H2,2H3,(H2,15,19)
InChIKey
RLOPNPLFOCLCAK-UHFFFAOYSA-N
Synonyms
862105-15-5
2((4allyl5(ptolyl)4H124triazol3yl)thio)acetamide
2((5(4methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
2((5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
2(5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETAMIDE
862105155
CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)N
InChI=1SC14H16N4OSc1381813(116410(2)5711)161714(18)20912(15)19h37H189H22H3(H21519)
MFCD05686731
ZINC000005500095
ZINC05500095
ZINC5500095

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Available files

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