Vitas-M small molecule compound

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

Catalog ID
STK481540
SMILES COC(=O)CSc1nnc(n1CC)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/c1-4-17-13(10-5-7-11(19-2)8-6-10)15-16-14(17)21-9-12(18)20-3/h5-8H,4,9H2,1-3H3
InChIKey
KFCJVSBOPGESJI-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)OC
InChI=1SC14H17N3O3Sc141713(105711(192)8610)151614(17)21912(18)203h58H49H213H3
methyl((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06072503
ZINC000005852889
ZINC05852889
ZINC5852889

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Available files

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