Vitas-M small molecule compound
ethyl 3-[({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL294396
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1CC)c1ccncc1
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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 C20H21N5O3S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S/c1-3-25-18(14-8-10-21-11-9-14)23-24-20(25)29-13-17(26)22-16-7-5-6-15(12-16)19(27)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,26)InChIKey
YZOKGRCBFFHNMD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)C3=CC=NC=C3
ethyl3((((4ethyl5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ethyl3((2((4ethyl5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC20H21N5O3Sc132518(148102111914)232420(25)291317(26)221675615(1216)19(27)2842h512H3413H212H3(H2226)
MFCD09216419
ZINC000010677739
ZINC10677739
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