Vitas-M small molecule compound
6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK995725
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)OC)O)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 C21H15BrN4O5 MW 483.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O5/c1-28-15-6-10(4-12(22)19(15)27)16-11(7-23)20(24)31-21-17(16)18(25-26-21)9-2-3-13-14(5-9)30-8-29-13/h2-6,16,27H,8,24H2,1H3,(H,25,26)InChIKey
QYONIYVXNKNENV-UHFFFAOYSA-NSynonyms
6amino3(13benzodioxol5yl)4(3bromo4hydroxy5methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6amino3(13benzodioxol5yl)4(3bromo4hydroxy5methoxyphenyl)24dihydropyrano(23c)pyrazole5carbonitrile
COC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC5=C(C=C4)OCO5)N)C#N)Br)O
InChI=1SC21H15BrN4O5c12815610(412(22)19(15)27)1611(723)20(24)312117(16)18(252621)9231314(59)3082913h261627H824H21H3(H2526)
MFCD06755390
N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)OC)O)c(n(nH)2)c1ccc2c(c1)OCO2
ZINC000021456687
ZINC000021456689
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