Vitas-M small molecule compound

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

Catalog ID
STK481531
SMILES CCn1c(SCC(=O)OC)nnc1c1ccc(o1)Br

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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 C11H12BrN3O3S MW 346.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12BrN3O3S/c1-3-15-10(7-4-5-8(12)18-7)13-14-11(15)19-6-9(16)17-2/h4-5H,3,6H2,1-2H3
InChIKey
NHGFULSFJZWPQA-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)OC)C2=CC=C(O2)Br
InChI=1SC11H12BrN3O3Sc131510(7458(12)187)131411(15)1969(16)172h45H36H212H3
methyl((5(5bromofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetate
METHYL2((5(5BROMOFURAN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5(5BROMO(2FURYL))4ETHYL124TRIAZOL3YLTHIO)ACETATE
MFCD06031983
ZINC000006731009
ZINC06731009
ZINC6731009

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Available files

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