Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(2-methoxyphenyl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL398047
SMILES COc1ccccc1/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 C17H19N7O3S MW 401.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N7O3S/c1-11-16(24(25)26)12(2)22(21-11)10-28-17-20-19-13(3)23(17)18-9-14-7-5-6-8-15(14)27-4/h5-9H,10H2,1-4H3/b18-9+InChIKey
IPZYTRDGIORNKJ-GIJQJNRQSA-NSynonyms
1005642-70-5(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(2methoxyphenyl)methanimine
1005642705
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(2METHOXYPHENYL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=CC=C3OC)C)C)(N+)(=O)(O)
COc1ccccc1C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC17H19N7O3Sc11116(24(25)26)12(2)22(2111)102817201913(3)23(17)18914756815(14)274h59H10H214H3b189+
MFCD05667519
ZINC000002733143
ZINC101587514
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