Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(5-ethylthiophen-2-yl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL398957
SMILES CCc1ccc(s1)/C=N/n1c(nnc1C)SCn1nc(c(c1C)[N+](=O)[O-])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 C16H19N7O2S2 MW 405.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N7O2S2/c1-5-13-6-7-14(27-13)8-17-22-12(4)18-19-16(22)26-9-21-11(3)15(23(24)25)10(2)20-21/h6-8H,5,9H2,1-4H3/b17-8+InChIKey
MUFOEKRASQBKNJ-CAOOACKPSA-NSynonyms
1005615-16-6(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(5ethylthiophen2yl)methanimine
1005615166
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(5ETHYLTHIOPHEN2YL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CCC1=CC=C(S1)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
CCc1ccc(s1)C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H19N7O2S2c15136714(2713)8172212(4)181916(22)2692111(3)15(23(24)25)10(2)2021h68H59H214H3b178+
MFCD05667509
ZINC000002733127
ZINC2733126
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