Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-[(E)-(4-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STL396756
SMILES [O-][N+](=O)c1ccc(cc1)/C=N/n1c(C)nnc1SCn1nc(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 C16H16N8O4S MW 416.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N8O4S/c1-10-15(24(27)28)11(2)21(20-10)9-29-16-19-18-12(3)22(16)17-8-13-4-6-14(7-5-13)23(25)26/h4-8H,9H2,1-3H3/b17-8+InChIKey
FYVSAYYAFFGDKP-CAOOACKPSA-NSynonyms
1005578-03-9(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(4nitrophenyl)methanimine
(O)(N+)(=O)c1ccc(cc1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
1005578039
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5METHYLN((E)(4NITROPHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(C=C3)(N+)(=O)(O))C)C)(N+)(=O)(O)
InChI=1SC16H16N8O4Sc11015(24(27)28)11(2)21(2010)92916191812(3)22(16)178134614(7513)23(25)26h48H9H213H3b178+
MFCD05667463
ZINC000002733055
ZINC101587774
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