Vitas-M small molecule compound

1-[3-nitro-4-(phenylsulfanyl)phenyl]-1H-tetrazole

Catalog ID
STL433077
SMILES [O-][N+](=O)c1cc(ccc1Sc1ccccc1)n1cnnn1

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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 C13H9N5O2S MW 299.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O2S/c19-18(20)12-8-10(17-9-14-15-16-17)6-7-13(12)21-11-4-2-1-3-5-11/h1-9H
InChIKey
UUPYWKJWNQEYTG-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(ccc1Sc1ccccc1)n1cnnn1
1(3nitro4(phenylsulfanyl)phenyl)1Htetrazole
1(3nitro4phenylsulfanylphenyl)tetrazole
C1=CC=C(C=C1)SC2=C(C=C(C=C2)N3C=NN=N3)(N+)(=O)(O)
InChI=1SC13H9N5O2Sc1918(20)12810(17914151617)6713(12)21114213511h19H
MFCD13899649
ZINC000020059050

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Available files

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