Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(1-ethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL400100
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccnn1CC
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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/c1-3-21-11(4-6-16-21)8-17-22-9-15-18-14(22)25-10-20-7-5-12(19-20)13(23)24-2/h4-9H,3,10H2,1-2H3/b17-8+InChIKey
VCZJVTMUPOYONT-CAOOACKPSA-NSynonyms
1005589-40-11005589401
CCN1C(=CC=N1)C=NN2C=NN=C2SCN3C=CC(=N3)C(=O)OC
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccnn1CC
InChI=1SC14H16N8O2Sc132111(461621)817229151814(22)2510207512(1920)13(23)242h49H310H212H3b178+
methyl1(((4(((E)(1ethyl1Hpyrazol5yl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(2ethylpyrazol3yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667768
ZINC000002733848
ZINC2733847
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