Vitas-M small molecule compound
3-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK089958
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)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 C22H19N5O6 MW 449.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O6/c1-11-17(20(28)25-23-11)19(18-12(2)24-26-21(18)29)14-4-3-5-16(10-14)33-22(30)13-6-8-15(9-7-13)27(31)32/h3-10,19H,1-2H3,(H2,23,25,28)(H2,24,26,29)InChIKey
QKBKATJWXBDGNI-UHFFFAOYSA-NSynonyms
879477-82-4(3(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)4NITROBENZOATE
3(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL4NITROBENZOATE
3(BIS(5METHYL3OXO23DIHYDRO1HPYRAZOL4YL)METHYL)PHENYL4NITROBENZOATE
879477824
CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=C(NNC4=O)C
InChI=1SC22H19N5O6c11117(20(28)252311)19(1812(2)242621(18)29)1443516(1014)3322(30)136815(9713)27(31)32h31019H12H3(H2232528)(H2242629)
MFCD03300951
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1cccc(c1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
STK089958
ZINC000008972060
ZINC08972060
ZINC8972060
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