Vitas-M small molecule compound
6-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK677529
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1)OC)C#N
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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/c1-3-32-16-9-12(8-15(20(16)28)27(29)30)17-14(10-23)21(24)33-22-18(17)19(25-26-22)11-4-6-13(31-2)7-5-11/h4-9,17,28H,3,24H2,1-2H3,(H,25,26)InChIKey
YSJGZWAMVONZCJ-UHFFFAOYSA-NSynonyms
6amino4(3ethoxy4hydroxy5nitrophenyl)3(4methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3ETHOXY4HYDROXY5NITROPHENYL)3(4METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)OC)N)C#N
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1)OC)C#N
InChI=1SC22H19N5O6c133216912(815(20(16)28)27(29)30)1714(1023)21(24)332218(17)19(252622)114613(312)7511h491728H324H212H3(H2526)
MFCD03035545
ZINC000036031985
ZINC000036031988
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