Vitas-M small molecule compound

ethyl {[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK475418
SMILES CCOC(=O)CSc1nnc(n1C)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 C13H14ClN3O2S MW 311.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3O2S/c1-3-19-11(18)8-20-13-16-15-12(17(13)2)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3
InChIKey
CWFOCJBTTAAKIG-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2Cl
ethyl((5(2chlorophenyl)4methyl4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(2CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2(5(2CHLOROPHENYL)4METHYL124TRIAZOL3YLTHIO)ACETATE
InChI=1SC13H14ClN3O2Sc131911(18)82013161512(17(13)2)9645710(9)14h47H38H212H3
MFCD06078053
ZINC000006741804
ZINC06741804
ZINC6741804

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Available files

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