Vitas-M small molecule compound

3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STK768987
SMILES CCCCc1nnc2n1N=C(CS2)c1ccc(cc1)[N+](=O)[O-]

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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 C14H15N5O2S MW 317.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N5O2S/c1-2-3-4-13-15-16-14-18(13)17-12(9-22-14)10-5-7-11(8-6-10)19(20)21/h5-8H,2-4,9H2,1H3
InChIKey
NPRGUJLAFIVMJD-UHFFFAOYSA-N
Synonyms

3butyl6(4nitrophenyl)7H(124)triazolo(34b)(134)thiadiazine
CCCCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)(N+)(=O)(O)
CCCCc1nnc2n1N=C(CS2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC14H15N5O2Sc12341315161418(13)1712(92214)105711(8610)19(20)21h58H249H21H3
MFCD03408244
ZINC000004580293
ZINC04580293
ZINC4580293

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Available files

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