Vitas-M small molecule compound

ethyl N-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate

Catalog ID
STL048238
SMILES CCOC(=O)CNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-5-31-21(30)15-25-20(29)16-32-23-27-26-22(28(23)19-9-7-6-8-10-19)17-11-13-18(14-12-17)24(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,25,29)
InChIKey
OWJQAPIDLICFDM-UHFFFAOYSA-N
Synonyms
862118-04-5
862118045
CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C
ETHYL2((2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)ACETATE
ethyl2(2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetamido)acetate
ETHYL2(2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)ACETATE
ETHYL2(2(5(4(TERTBUTYL)PHENYL)4PHENYL124TRIAZOL3YLTHIO)ACETYLAMINO)ACETATE
ethylN(((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)glycinate
InChI=1SC24H28N4O3Sc153121(30)152520(29)163223272622(28(23)1997681019)17111318(141217)24(23)4h614H51516H214H3(H2529)
MFCD05687268
ZINC000009309430
ZINC09309430
ZINC9309430

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Available files

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