Vitas-M small molecule compound

4,4'-[(4-methoxy-3-nitrophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK036167
SMILES COc1ccc(cc1[N+](=O)[O-])C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C

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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 C16H17N5O5 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O5/c1-7-12(15(22)19-17-7)14(13-8(2)18-20-16(13)23)9-4-5-11(26-3)10(6-9)21(24)25/h4-6,14H,1-3H3,(H2,17,19,22)(H2,18,20,23)
InChIKey
AIFCWGQUUBJDDH-UHFFFAOYSA-N
Synonyms

4((4METHOXY3NITROPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((4METHOXY3NITROPHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC)(N+)(=O)(O))C3=C(NNC3=O)C
COc1ccc(cc1(N+)(=O)(O))C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC16H17N5O5c1712(15(22)19177)14(138(2)182016(13)23)94511(263)10(69)21(24)25h4614H13H3(H2171922)(H2182023)
MFCD03705528
STK036167
ZINC000019940217
ZINC19940217

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Available files

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