Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-(3,5-dichloro-2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK765348
SMILES N#CC1=C(N)Oc2c(C1c1cc(Cl)cc(c1OC)Cl)c(n[nH]2)c1ccc2c(c1)OCO2
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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 C21H14Cl2N4O4 MW 457.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl2N4O4/c1-28-19-11(5-10(22)6-13(19)23)16-12(7-24)20(25)31-21-17(16)18(26-27-21)9-2-3-14-15(4-9)30-8-29-14/h2-6,16H,8,25H2,1H3,(H,26,27)InChIKey
HDSYOCHFRBAJBE-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(35dichloro2methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4(35DICHLORO2METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
COC1=C(C=C(C=C1C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)Cl)Cl
InChI=1SC21H14Cl2N4O4c1281911(510(22)613(19)23)1612(724)20(25)312117(16)18(262721)9231415(49)3082914h2616H825H21H3(H2627)
MFCD03035581
N#CC1=C(N)Oc2c(C1c1cc(Cl)cc(c1OC)Cl)c(n(nH)2)c1ccc2c(c1)OCO2
ZINC000000718381
ZINC000000718383
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