Vitas-M small molecule compound
6-amino-4-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Catalog ID
STL379752
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)c(C)n[nH]2
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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 C22H18Br2N4O2 MW 530.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Br2N4O2/c1-11-3-5-13(6-4-11)10-29-20-16(23)7-14(8-17(20)24)19-15(9-25)21(26)30-22-18(19)12(2)27-28-22/h3-8,19H,10,26H2,1-2H3,(H,27,28)InChIKey
IIZZSMSLZDAIDG-UHFFFAOYSA-NSynonyms
6amino4(35dibromo4((4methylbenzyl)oxy)phenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(35DIBROMO4((4METHYLPHENYL)METHOXY)PHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C3C(=C(OC4=NNC(=C34)C)N)C#N)Br
InChI=1SC22H18Br2N4O2c1113513(6411)10292016(23)714(817(20)24)1915(925)21(26)302218(19)12(2)272822h3819H1026H212H3(H2728)
MFCD04091242
N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)c(C)n(nH)2
ZINC000000661044
ZINC000000661046
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