Vitas-M small molecule compound
4-(2,3-dimethoxyphenyl)-3-(3-nitrophenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
Catalog ID
STK784349
SMILES COc1c(OC)cccc1C1CC(=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/c1-27-15-8-4-7-13(19(15)28-2)14-10-16(24)29-20-17(14)18(21-22-20)11-5-3-6-12(9-11)23(25)26/h3-9,14H,10H2,1-2H3,(H,21,22)InChIKey
POFLSIBPXFETFA-UHFFFAOYSA-NSynonyms
4(23DIMETHOXYPHENYL)3(3NITROPHENYL)45DIHYDRO2HPYRANO(23C)PYRAZOL6ONE
4(23dimethoxyphenyl)3(3nitrophenyl)45dihydropyrano(23c)pyrazol6(1H)one
COC1=CC=CC(=C1OC)C2CC(=O)OC3=NNC(=C23)C4=CC(=CC=C4)(N+)(=O)(O)
COc1c(OC)cccc1C1CC(=O)Oc2c1c(n(nH)2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H17N3O6c1271584713(19(15)282)141016(24)292017(14)18(212220)1153612(911)23(25)26h3914H10H212H3(H2122)
MFCD07021921
ZINC000004626331
ZINC000004626332
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