Vitas-M small molecule compound

5-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-phenyl-1H-tetrazole

Catalog ID
STK728079
SMILES Clc1cc2OCOc2cc1CSc1nnnn1c1ccccc1

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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 C15H11ClN4O2S MW 346.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11ClN4O2S/c16-12-7-14-13(21-9-22-14)6-10(12)8-23-15-17-18-19-20(15)11-4-2-1-3-5-11/h1-7H,8-9H2
InChIKey
OYICCNVINKNSCX-UHFFFAOYSA-N
Synonyms

5(((6chloro13benzodioxol5yl)methyl)sulfanyl)1phenyl1Htetrazole
5((6CHLORO13BENZODIOXOL5YL)METHYLSULFANYL)1PHENYLTETRAZOLE
5(6CHLOROBENZO(13)DIOXOL5YLMETHYLSULFANYL)1PHENYL1HTETRAZOLE
C1OC2=C(O1)C=C(C(=C2)CSC3=NN=NN3C4=CC=CC=C4)Cl
InChI=1SC15H11ClN4O2Sc161271413(2192214)610(12)8231517181920(15)114213511h17H89H2
MFCD01871009
ZINC000000267025
ZINC00267025
ZINC267025

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Available files

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