Vitas-M small molecule compound

ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate

Catalog ID
STK351148
SMILES CCOC(=O)c1cc(nn1C)c1sc2n(n1)c(nn2)CC

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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 C12H14N6O2S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N6O2S/c1-4-9-13-14-12-18(9)16-10(21-12)7-6-8(17(3)15-7)11(19)20-5-2/h6H,4-5H2,1-3H3
InChIKey
MTXDMPIJYVESSN-UHFFFAOYSA-N
Synonyms
1006326-48-2
1006326482
CCC1=NN=C2N1N=C(S2)C3=NN(C(=C3)C(=O)OCC)C
ethyl3(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)1methyl1Hpyrazole5carboxylate
ETHYL3(3ETHYL(124TRIAZOLO(34B)134THIADIAZOLIN6YL))1METHYLPYRAZOLE5CARBOXYLATE
ethyl5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methylpyrazole3carboxylate
InChI=1SC12H14N6O2Sc14913141218(9)1610(2112)768(17(3)157)11(19)2052h6H45H213H3
MFCD08557673
ZINC000012394936
ZINC12394936

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Available files

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