Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(1,3-dimethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STK314267
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1cc(nn1C)C
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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 C14H16N8O2S MW 360.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N8O2S/c1-10-6-11(20(2)18-10)7-16-22-8-15-17-14(22)25-9-21-5-4-12(19-21)13(23)24-3/h4-8H,9H2,1-3H3/b16-7+InChIKey
BTNAWOUZSFGTBZ-FRKPEAEDSA-NSynonyms
1005592-06-21005592062
CC1=NN(C(=C1)C=NN2C=NN=C2SCN3C=CC(=N3)C(=O)OC)C
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1cc(nn1C)C
InChI=1SC14H16N8O2Sc110611(20(2)1810)716228151714(22)259215412(1921)13(23)243h48H9H213H3b167+
methyl1(((4(((E)(13dimethyl1Hpyrazol5yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(25dimethylpyrazol3yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667603
ZINC000002733610
ZINC2733609
Check stock
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Check stock on Vitas-MAvailable files
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