Vitas-M small molecule compound
6-amino-3-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK677549
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1)Cl)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 C21H16ClN5O5 MW 453.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O5/c1-2-31-15-8-11(7-14(19(15)28)27(29)30)16-13(9-23)20(24)32-21-17(16)18(25-26-21)10-3-5-12(22)6-4-10/h3-8,16,28H,2,24H2,1H3,(H,25,26)InChIKey
FCHSDORHSKCATK-UHFFFAOYSA-NSynonyms
6amino3(4chlorophenyl)4(3ethoxy4hydroxy5nitrophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(4CHLOROPHENYL)4(3ETHOXY4HYDROXY5NITROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Cl)N)C#N
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1)Cl)C#N
InChI=1SC21H16ClN5O5c123115811(714(19(15)28)27(29)30)1613(923)20(24)322117(16)18(252621)103512(22)6410h381628H224H21H3(H2526)
MFCD03035579
ZINC000036031993
ZINC000036031996
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