Vitas-M small molecule compound

ethyl phenyl(4H-1,2,4-triazol-3-ylsulfanyl)acetate

Catalog ID
STK922127
SMILES CCOC(=O)C(c1ccccc1)Sc1nnc[nH]1

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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-2-17-11(16)10(9-6-4-3-5-7-9)18-12-13-8-14-15-12/h3-8,10H,2H2,1H3,(H,13,14,15)
InChIKey
UHHZCHZIWBVAHD-UHFFFAOYSA-N
Synonyms
225225-34-3
225225343
CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NN2
CCOC(=O)C(c1ccccc1)Sc1ncn(nH)1
CCOC(=O)C(c1ccccc1)Sc1nnc(nH)1
ethyl2((1H124triazol5yl)thio)2phenylacetate
ETHYL2(1H124TRIAZOL5YLTHIO)2PHENYLACETATE
ETHYL2PHENYL2(1H124TRIAZOL5YLSULFANYL)ACETATE
ethylphenyl(4H124triazol3ylsulfanyl)acetate
InChI=1SC12H13N3O2Sc121711(16)10(9643579)1812138141512h3810H2H21H3(H131415)
MFCD08550792
PHENYL((2H(124)TRIAZOL3YLSULFANYL))ACETICACIDETHYLESTER
ZINC000006552507
ZINC000006552509

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Available files

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