Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL393483
SMILES Cc1nnc(n1/N=C/c1cnn(c1C)C)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 C15H19N9O2S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N9O2S/c1-9-14(24(25)26)11(3)22(20-9)8-27-15-19-18-12(4)23(15)17-7-13-6-16-21(5)10(13)2/h6-7H,8H2,1-5H3/b17-7+InChIKey
XPBBKQMMWFASCP-REZTVBANSA-NSynonyms
1005577-70-7(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(15dimethylpyrazol4yl)methanimine
1005577707
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(15DIMETHYL1HPYRAZOL4YL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CC1=C(C=NN1C)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
Cc1nnc(n1N=Cc1cnn(c1C)C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC15H19N9O2Sc1914(24(25)26)11(3)22(209)82715191812(4)23(15)1771361621(5)10(13)2h67H8H215H3b177+
MFCD04141101
ZINC000002732501
ZINC101589389
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