Vitas-M small molecule compound

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

Catalog ID
STK579127
SMILES CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1ccccc1Cl

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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 C22H23ClN4O4S MW 474.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4S/c1-3-30-16-11-9-15(10-12-16)27-21(17-7-5-6-8-18(17)23)25-26-22(27)32-14-19(28)24-13-20(29)31-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,24,28)
InChIKey
ARBHWWNPMTZAJR-UHFFFAOYSA-N
Synonyms
861117-19-3
861117193
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)OCC)C3=CC=CC=C3Cl
ETHYL2((2((5(2CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)ACETATE
ETHYL2(2((5(2CHLOROPHENYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)ACETATE
ethyl2(2((5(2chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)acetamido)acetate
ETHYL2(2(5(2CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)ACETATE
ethylN(((5(2chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)glycinate
InChI=1SC22H23ClN4O4Sc13301611915(101216)2721(17756818(17)23)252622(27)321419(28)241320(29)3142h512H341314H212H3(H2428)
MFCD05683023
ZINC000009307565
ZINC09307565
ZINC9307565

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Available files

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