Vitas-M small molecule compound

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

Catalog ID
STL339108
SMILES CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1cccnc1

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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-3-29-17-9-7-16(8-10-17)26-20(15-6-5-11-22-12-15)24-25-21(26)31-14-18(27)23-13-19(28)30-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKey
LIWHVCQWGXTMJV-UHFFFAOYSA-N
Synonyms
618432-49-8
618432498
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)OCC)C3=CN=CC=C3
ETHYL2((2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)ACETATE
ETHYL2(2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)ACETATE
ETHYL2(2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)ACETAMIDO)ACETATE
ETHYL2(2(4(4ETHOXYPHENYL)5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)ACETATE
ethylN(((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)glycinate
ETHYLN(((4(4ETHOXYPHENYL)5PYRIDIN3YL4H124TRIAZOL3YL)SULFANYL)ACETYL)GLYCINATE
InChI=1SC21H23N5O4Sc1329179716(81017)2620(156511221215)242521(26)311418(27)231319(28)3042h512H341314H212H3(H2327)
MFCD03474808
ZINC000002508644
ZINC02508644
ZINC2508644

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Available files

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