Vitas-M small molecule compound

methyl 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]furan-2-carboxylate

Catalog ID
STK835751
SMILES COC(=O)c1ccc(o1)CSc1nnc[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 C9H9N3O3S MW 239.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N3O3S/c1-14-8(13)7-3-2-6(15-7)4-16-9-10-5-11-12-9/h2-3,5H,4H2,1H3,(H,10,11,12)
InChIKey
QNSCDFJIEQFOMD-UHFFFAOYSA-N
Synonyms

5(4H(124)TRIAZOL3YLSULFANYLMETHYL)FURAN2CARBOXYLICACIDMETHYLESTER
COC(=O)C1=CC=C(O1)CSC2=NC=NN2
COC(=O)c1ccc(o1)CSc1nnc(nH)1
InChI=1SC9H9N3O3Sc1148(13)7326(157)416910511129h235H4H21H3(H101112)
methyl5(((4H124triazol3yl)thio)methyl)furan2carboxylate
methyl5((4H124triazol3ylsulfanyl)methyl)furan2carboxylate
METHYL5(1H124TRIAZOL5YLSULFANYLMETHYL)FURAN2CARBOXYLATE
MFCD02221778
ZINC000013154148
ZINC13154148

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Available files

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