Vitas-M small molecule compound
6-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK765271
SMILES N#CC1=C(N)Oc2c(C1c1cc3OCOc3cc1Br)c(n[nH]2)c1ccc(cc1)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 C21H15BrN4O4 MW 467.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O4/c1-27-11-4-2-10(3-5-11)19-18-17(13(8-23)20(24)30-21(18)26-25-19)12-6-15-16(7-14(12)22)29-9-28-15/h2-7,17H,9,24H2,1H3,(H,25,26)InChIKey
KRJYZIDYWFODBD-UHFFFAOYSA-NSynonyms
6amino4(6bromo13benzodioxol5yl)3(4methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(6BROMO13BENZODIOXOL5YL)3(4METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC5=C(C=C4Br)OCO5
InChI=1SC21H15BrN4O4c127114210(3511)191817(13(823)20(24)3021(18)262519)1261516(714(12)22)2992815h2717H924H21H3(H2526)
MFCD03035532
N#CC1=C(N)Oc2c(C1c1cc3OCOc3cc1Br)c(n(nH)2)c1ccc(cc1)OC
ZINC000004166675
ZINC000004166681
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