Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-(2,4-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK996302
SMILES COc1ccc(c(c1)OC)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/c1-27-12-4-5-13(16(8-12)28-2)18-14(9-23)21(24)31-22-19(18)20(25-26-22)11-3-6-15-17(7-11)30-10-29-15/h3-8,18H,10,24H2,1-2H3,(H,25,26)InChIKey
DQRBAMAYRQIGLZ-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(24dimethoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(24DIMETHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
COC1=CC(=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)OC
COc1ccc(c(c1)OC)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc2c(c1)OCO2)C#N
InChI=1SC22H18N4O5c127124513(16(812)282)1814(923)21(24)312219(18)20(252622)11361517(711)30102915h3818H1024H212H3(H2526)
MFCD01971846
ZINC000009986132
ZINC000009986134
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