Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Catalog ID
STK784502
SMILES COc1cc(ccc1OC)C1CC(=O)Oc2c1c(n[nH]2)c1cccc(c1)[N+](=O)[O-]
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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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c1-27-15-7-6-11(9-16(15)28-2)14-10-17(24)29-20-18(14)19(21-22-20)12-4-3-5-13(8-12)23(25)26/h3-9,14H,10H2,1-2H3,(H,21,22)InChIKey
XKGAVDGHYJWYLW-UHFFFAOYSA-NSynonyms
4(34DIMETHOXYPHENYL)3(3NITROPHENYL)45DIHYDRO2HPYRANO(23C)PYRAZOL6ONE
4(34dimethoxyphenyl)3(3nitrophenyl)45dihydropyrano(23c)pyrazol6(1H)one
COC1=C(C=C(C=C1)C2CC(=O)OC3=NNC(=C23)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(ccc1OC)C1CC(=O)Oc2c1c(n(nH)2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H17N3O6c127157611(916(15)282)141017(24)292018(14)19(212220)1243513(812)23(25)26h3914H10H212H3(H2122)
MFCD07022448
ZINC000004626524
ZINC000004626525
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