Vitas-M small molecule compound

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

Catalog ID
STK116106
SMILES C=CCn1c(CNC(=O)c2cccc(c2)C)nnc1S

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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/c1-3-7-18-12(16-17-14(18)20)9-15-13(19)11-6-4-5-10(2)8-11/h3-6,8H,1,7,9H2,2H3,(H,15,19)(H,17,20)
InChIKey
JPJZSRDWNZRGTA-UHFFFAOYSA-N
Synonyms
708247-76-1
3METHYLN((4(PROP2EN1YL)5SULFANYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((4PROP2ENYL5SULFANYLIDENE1H124TRIAZOL3YL)METHYL)BENZAMIDE
708247761
CC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2CC=C
InChI=1SC14H16N4OSc1371812(161714(18)20)91513(19)1164510(2)811h368H179H22H3(H1519)(H1720)
MFCD04128016
N(4ALLYL5MERCAPTO4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000005981561
ZINC05981561
ZINC5981561

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Available files

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