Vitas-M small molecule compound

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

Catalog ID
STK467861
SMILES CCOC(=O)CSc1nnc(n1C)c1ccc(cc1)OC

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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 C14H17N3O3S MW 307.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3S/c1-4-20-12(18)9-21-14-16-15-13(17(14)2)10-5-7-11(19-3)8-6-10/h5-8H,4,9H2,1-3H3
InChIKey
WOAIJPRXRFZKKZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)OC
ethyl((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2(5(4METHOXYPHENYL)4METHYL124TRIAZOL3YLTHIO)ACETATE
InChI=1SC14H17N3O3Sc142012(18)92114161513(17(14)2)105711(193)8610h58H49H213H3
MFCD02230711
ZINC000000422004
ZINC00422004
ZINC422004

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Available files

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