Vitas-M small molecule compound

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

Catalog ID
STK587159
SMILES CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)Cl

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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 C22H23ClN4O5S MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O5S/c1-3-31-21(29)12-24-20(28)14-33-22-26-25-19(13-32-18-8-4-15(23)5-9-18)27(22)16-6-10-17(30-2)11-7-16/h4-11H,3,12-14H2,1-2H3,(H,24,28)
InChIKey
CIDOXOUFKCPIPW-UHFFFAOYSA-N
Synonyms
861123-23-1
861123231
CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)COC3=CC=C(C=C3)Cl
ETHYL2((2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)ACETATE
ethyl2(2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamido)acetate
ETHYL2(2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)ACETATE
ETHYL2(2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)ACETATE
ethylN(((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)glycinate
InChI=1SC22H23ClN4O5Sc133121(29)122420(28)143322262519(1332188415(23)5918)27(22)1661017(302)11716h411H31214H212H3(H2428)
MFCD05683513
ZINC000009307813
ZINC09307813
ZINC9307813

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Available files

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