Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-[(E)-{5-[(2-methylphenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STL399141
SMILES Cc1nnc(n1/N=C/c1ccc(o1)COc1ccccc1C)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 C22H23N7O4S MW 481.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N7O4S/c1-14-7-5-6-8-20(14)32-12-19-10-9-18(33-19)11-23-28-17(4)24-25-22(28)34-13-27-16(3)21(29(30)31)15(2)26-27/h5-11H,12-13H2,1-4H3/b23-11+InChIKey
VAGLNBRYRNSQQL-FOKLQQMPSA-NSynonyms
1005642-23-8(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(5((2methylphenoxy)methyl)furan2yl)methanimine
1005642238
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5METHYLN((E)(5((2METHYLPHENOXY)METHYL)FURAN2YL)METHYLIDENE)4H124TRIAZOL4AMINE
CC1=CC=CC=C1OCC2=CC=C(O2)C=NN3C(=NN=C3SCN4C(=C(C(=N4)C)(N+)(=O)(O))C)C
Cc1nnc(n1N=Cc1ccc(o1)COc1ccccc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC22H23N7O4Sc114756820(14)32121910918(3319)11232817(4)242522(28)34132716(3)21(29(30)31)15(2)2627h511H1213H214H3b2311+
MFCD05667456
ZINC000002733047
ZINC2733046
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