Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK995977
SMILES CCOc1cc(ccc1O)C1C(=C(N)Oc2c1c(n[nH]2)c1ccc2c(c1)OCO2)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 C22H18N4O5 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5/c1-2-28-16-7-11(3-5-14(16)27)18-13(9-23)21(24)31-22-19(18)20(25-26-22)12-4-6-15-17(8-12)30-10-29-15/h3-8,18,27H,2,10,24H2,1H3,(H,25,26)InChIKey
WRUADZCKGKNEQG-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(3ethoxy4hydroxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(3ETHOXY4HYDROXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)O
CCOc1cc(ccc1O)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc2c(c1)OCO2)C#N
InChI=1SC22H18N4O5c122816711(3514(16)27)1813(923)21(24)312219(18)20(252622)12461517(812)30102915h381827H21024H21H3(H2526)
MFCD01971843
ZINC000008569223
ZINC000008569237
ZINC00985163
ZINC00985164
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