Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-nitrobenzoate
Catalog ID
STK047549
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[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 C23H21N5O7 MW 479.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O7/c1-11-18(21(29)26-24-11)20(19-12(2)25-27-22(19)30)13-7-8-16(17(10-13)34-3)35-23(31)14-5-4-6-15(9-14)28(32)33/h4-10,20H,1-3H3,(H2,24,26,29)(H2,25,27,30)InChIKey
BOURSPPWKPZKLP-UHFFFAOYSA-NSynonyms
879454-16-7(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)3NITROBENZOATE
3NITROBENZOICACID4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYLESTER
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL3NITROBENZOATE
4(BIS(5METHYL3OXO23DIHYDRO1HPYRAZOL4YL)METHYL)2METHOXYPHENYL3NITROBENZOATE
879454167
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))OC)C4=C(NNC4=O)C
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H21N5O7c11118(21(29)262411)20(1912(2)252722(19)30)137816(17(1013)343)3523(31)1454615(914)28(32)33h41020H13H3(H2242629)(H2252730)
MFCD03303196
STK047549
ZINC000020131293
ZINC20131293
Check stock
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Check stock on Vitas-MAvailable files
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