Vitas-M small molecule compound

6-amino-3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK996332
SMILES COc1ccc(c(c1)C1C(=C(N)Oc2c1c(n[nH]2)c1ccc2c(c1)OCO2)C#N)OC

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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/c1-27-12-4-6-15(28-2)13(8-12)18-14(9-23)21(24)31-22-19(18)20(25-26-22)11-3-5-16-17(7-11)30-10-29-16/h3-8,18H,10,24H2,1-2H3,(H,25,26)
InChIKey
VCJLOXKTEGNNLJ-UHFFFAOYSA-N
Synonyms

6amino3(13benzodioxol5yl)4(25dimethoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(25DIMETHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
COC1=CC(=C(C=C1)OC)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N
COc1ccc(c(c1)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc2c(c1)OCO2)C#N)OC
InChI=1SC22H18N4O5c127124615(282)13(812)1814(923)21(24)312219(18)20(252622)11351617(711)30102916h3818H1024H212H3(H2526)
MFCD01971847
ZINC000016215260
ZINC000016215264

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Available files

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