Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK084008
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)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)13-6-8-16(9-7-13)33-22(30)14-4-3-5-15(10-14)27(31)32/h3-10,19H,1-2H3,(H2,23,25,28)(H2,24,26,29)InChIKey
KFOJVJMJGTWBEJ-UHFFFAOYSA-NSynonyms
879562-53-5(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)3NITROBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL3NITROBENZOATE
879562535
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=C(NNC4=O)C
InChI=1SC22H19N5O6c11117(20(28)252311)19(1812(2)242621(18)29)136816(9713)3322(30)1443515(1014)27(31)32h31019H12H3(H2232528)(H2242629)
MFCD03291911
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
STK084008
ZINC000008972985
ZINC20066288
ZINC8972985
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