Vitas-M small molecule compound
6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK763453
SMILES CCOc1cc(ccc1O)C1C(=C(N)Oc2c1c(n[nH]2)c1cccc(c1)[N+](=O)[O-])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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-2-30-16-9-11(6-7-15(16)27)17-14(10-22)20(23)31-21-18(17)19(24-25-21)12-4-3-5-13(8-12)26(28)29/h3-9,17,27H,2,23H2,1H3,(H,24,25)InChIKey
BXHJIPMTUGGJBP-UHFFFAOYSA-NSynonyms
6amino4(3ethoxy4hydroxyphenyl)3(3nitrophenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3ETHOXY4HYDROXYPHENYL)3(3NITROPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N)O
CCOc1cc(ccc1O)C1C(=C(N)Oc2c1c(n(nH)2)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC21H17N5O5c123016911(6715(16)27)1714(1022)20(23)312118(17)19(242521)1243513(812)26(28)29h391727H223H21H3(H2425)
MFCD01971949
ZINC000008854791
ZINC000008854963
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