Vitas-M small molecule compound

3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-(1-ethyl-1H-pyrazol-5-yl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine

Catalog ID
STL390198
SMILES CCn1nccc1/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 C15H19N9O2S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N9O2S/c1-5-21-13(6-7-16-21)8-17-23-12(4)18-19-15(23)27-9-22-11(3)14(24(25)26)10(2)20-22/h6-8H,5,9H2,1-4H3/b17-8+
InChIKey
ASZZFQRQLMHLAH-CAOOACKPSA-N
Synonyms
1005642-30-7
(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(2ethylpyrazol3yl)methanimine
1005642307
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)N((E)(1ethyl1Hpyrazol5yl)methylidene)5methyl4H124triazol4amine
CCN1C(=CC=N1)C=NN2C(=NN=C2SCN3C(=C(C(=N3)C)(N+)(=O)(O))C)C
CCn1nccc1C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC15H19N9O2Sc152113(671621)8172312(4)181915(23)2792211(3)14(24(25)26)10(2)2022h68H59H214H3b178+
MFCD05667464
ZINC000002733058
ZINC2733057

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Available files

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