Vitas-M small molecule compound

N-(2-ethyl-6-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK273605
SMILES CCc1cccc(c1NC(=O)CSc1nnc(n1C)c1ccccc1OC)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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-5-15-10-8-9-14(2)19(15)22-18(26)13-28-21-24-23-20(25(21)3)16-11-6-7-12-17(16)27-4/h6-12H,5,13H2,1-4H3,(H,22,26)
InChIKey
GQIDKPUYUHWWGI-UHFFFAOYSA-N
Synonyms

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3OC)C
InChI=1SC21H24N4O2Sc1515108914(2)19(15)2218(26)132821242320(25(21)3)1611671217(16)274h612H513H214H3(H2226)
MFCD02588526
N(2ethyl6methylphenyl)2((5(2methoxyphenyl)4methyl124triazol3yl)sulfanyl)acetamide
N(2ethyl6methylphenyl)2((5(2methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000000976269
ZINC00976269
ZINC976269

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Available files

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