Vitas-M small molecule compound

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

Catalog ID
STK197706
SMILES C=CCn1c(CNC(=O)c2ccccc2F)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 C13H13FN4OS MW 292.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13FN4OS/c1-2-7-18-11(16-17-13(18)20)8-15-12(19)9-5-3-4-6-10(9)14/h2-6H,1,7-8H2,(H,15,19)(H,17,20)
InChIKey
OQQJAWPWNUQFHW-UHFFFAOYSA-N
Synonyms
708990-69-6
2FLUORON((4(PROP2EN1YL)5SULFANYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON((4PROP2ENYL5SULFANYLIDENE1H124TRIAZOL3YL)METHYL)BENZAMIDE
708990696
C=CCN1C(=NNC1=S)CNC(=O)C2=CC=CC=C2F
InChI=1SC13H13FN4OSc1271811(161713(18)20)81512(19)9534610(9)14h26H178H2(H1519)(H1720)
MFCD05240051
N(4ALLYL5MERCAPTO4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000005817009
ZINC05817009
ZINC5817009

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Available files

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