Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-(4-nitrophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL395605
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/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 C15H13N7O4S MW 387.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N7O4S/c1-26-14(23)13-6-7-20(19-13)10-27-15-18-16-9-21(15)17-8-11-2-4-12(5-3-11)22(24)25/h2-9H,10H2,1H3/b17-8+InChIKey
JIERLWJMWPCMIW-CAOOACKPSA-NSynonyms
1005615-22-41005615224
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC15H13N7O4Sc12614(23)136720(1913)1027151816921(15)178112412(5311)22(24)25h29H10H21H3b178+
METHYL1(((4(((E)(4NITROPHENYL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
METHYL1((4((1E)2(4NITROPHENYL)1AZAVINYL)124TRIAZOL3YLTHIO)METHYL)PYRAZOLE3CARBOXYLATE
methyl1((4((E)(4nitrophenyl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667515
ZINC000002733136
ZINC98064624
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