Vitas-M small molecule compound
2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile
Catalog ID
STL321732
SMILES N#CC(C(c1c(C)[nH]nc1O)c1cccc(c1)[N+](=O)[O-])CC#N
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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 C15H13N5O3 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O3/c1-9-13(15(21)19-18-9)14(11(8-17)5-6-16)10-3-2-4-12(7-10)20(22)23/h2-4,7,11,14H,5H2,1H3,(H2,18,19,21)InChIKey
WPXAZVUQSAQXCY-UHFFFAOYSA-NSynonyms
371227-97-32((3hydroxy5methyl1Hpyrazol4yl)(3nitrophenyl)methyl)butanedinitrile
2((3METHYL5OXO12DIHYDROPYRAZOL4YL)(3NITROPHENYL)METHYL)BUTANEDINITRILE
2((5hydroxy3methyl1Hpyrazol4yl)(3nitrophenyl)methyl)succinonitrile
371227973
CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)(N+)(=O)(O))C(CC#N)C#N
InChI=1SC15H13N5O3c1913(15(21)19189)14(11(817)5616)1032412(710)20(22)23h2471114H5H21H3(H2181921)
MFCD28029659
N#CC(C(c1c(C)(nH)nc1O)c1cccc(c1)(N+)(=O)(O))CC#N
N#CC(C(c1c(O)(nH)nc1C)c1cccc(c1)(N+)(=O)(O))CC#N
ZINC000004730213
ZINC000004730216
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