Vitas-M small molecule compound
3-(3-nitrophenyl)-4-(2,3,4-trimethoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Catalog ID
STK784350
SMILES COc1c(ccc(c1OC)OC)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 C21H19N3O7 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7/c1-28-15-8-7-13(19(29-2)20(15)30-3)14-10-16(25)31-21-17(14)18(22-23-21)11-5-4-6-12(9-11)24(26)27/h4-9,14H,10H2,1-3H3,(H,22,23)InChIKey
YUMZVLHRRCNMOL-UHFFFAOYSA-NSynonyms
3(3NITROPHENYL)4(234TRIMETHOXYPHENYL)45DIHYDRO2HPYRANO(23C)PYRAZOL6ONE
3(3nitrophenyl)4(234trimethoxyphenyl)45dihydropyrano(23c)pyrazol6(1H)one
COC1=C(C(=C(C=C1)C2CC(=O)OC3=NNC(=C23)C4=CC(=CC=C4)(N+)(=O)(O))OC)OC
COc1c(ccc(c1OC)OC)C1CC(=O)Oc2c1c(n(nH)2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N3O7c128158713(19(292)20(15)303)141016(25)312117(14)18(222321)1154612(911)24(26)27h4914H10H213H3(H2223)
MFCD07021922
ZINC000012420149
ZINC000012420152
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