Vitas-M small molecule compound
6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STK764625
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(N)Oc2c1c(n[nH]2)c1ccc(cc1)OC)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 C22H19BrN4O4 MW 483.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O4/c1-3-30-16-9-12(8-15(23)20(16)28)17-14(10-24)21(25)31-22-18(17)19(26-27-22)11-4-6-13(29-2)7-5-11/h4-9,17,28H,3,25H2,1-2H3,(H,26,27)InChIKey
KBPHCASDJDMABJ-UHFFFAOYSA-NSynonyms
6amino4(3bromo5ethoxy4hydroxyphenyl)3(4methoxyphenyl)14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3BROMO5ETHOXY4HYDROXYPHENYL)3(4METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)OC)N)C#N)Br)O
CCOc1cc(cc(c1O)Br)C1C(=C(N)Oc2c1c(n(nH)2)c1ccc(cc1)OC)C#N
InChI=1SC22H19BrN4O4c133016912(815(23)20(16)28)1714(1024)21(25)312218(17)19(262722)114613(292)7511h491728H325H212H3(H2627)
MFCD03035041
ZINC000000718457
ZINC000000718458
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