Vitas-M small molecule compound

2-[({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

Catalog ID
STL365103
SMILES CCn1c(SCC(=O)Nc2ccccc2C(=O)N)nnc1c1cc2c(o1)cccc2

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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-2-26-20(17-11-13-7-3-6-10-16(13)29-17)24-25-21(26)30-12-18(27)23-15-9-5-4-8-14(15)19(22)28/h3-11H,2,12H2,1H3,(H2,22,28)(H,23,27)
InChIKey
CRGFYKNFDBAWPS-UHFFFAOYSA-N
Synonyms

2((((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzamide
2((2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzamide
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)C3=CC4=CC=CC=C4O3
InChI=1SC21H19N5O3Sc122620(1711137361016(13)2917)242521(26)301218(27)2315954814(15)19(22)28h311H212H21H3(H22228)(H2327)
MFCD09217110
ZINC000010681886
ZINC10681886

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Available files

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