Vitas-M small molecule compound

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

Catalog ID
STK205735
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)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 C24H21N5O3S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O3S/c1-2-32-23(31)18-8-10-19(11-9-18)26-21(30)16-33-24-28-27-22(17-12-14-25-15-13-17)29(24)20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,26,30)
InChIKey
LTDXNSKOZZSAOW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4
ETHYL4((((4PHENYL5(4PYRIDINYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((((4PHENYL5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4PHENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(4PHENYL5(4PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC24H21N5O3Sc123223(31)1881019(11918)2621(30)163324282722(17121425151317)29(24)206435720h315H216H21H3(H2630)
MFCD02739808
ZINC000000648809
ZINC00648809
ZINC648809

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Available files

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