Vitas-M small molecule compound
(8E)-2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK955894
SMILES CCn1nc(c(c1)/C=C/1\CCCC2=C1OC(=C(C2c1cn(nc1C)CC)C#N)N)C
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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 C23H28N6O MW 404.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O/c1-5-28-12-17(14(3)26-28)10-16-8-7-9-18-21(19(11-24)23(25)30-22(16)18)20-13-29(6-2)27-15(20)4/h10,12-13,21H,5-9,25H2,1-4H3/b16-10+InChIKey
AJIRHFHQUUUZQY-MHWRWJLKSA-NSynonyms
496834-85-6(8E)2amino4(1ethyl3methyl1Hpyrazol4yl)8((1ethyl3methyl1Hpyrazol4yl)methylidene)5678tetrahydro4Hchromene3carbonitrile
(8E)2amino4(1ethyl3methylpyrazol4yl)8((1ethyl3methylpyrazol4yl)methylidene)4567tetrahydrochromene3carbonitrile
496834856
CCN1C=C(C(=N1)C)C=C2CCCC3=C2OC(=C(C3C4=CN(N=C4C)CC)C#N)N
CCn1nc(c(c1)C=C1CCCC2=C1OC(=C(C2c1cn(nc1C)CC)C#N)N)C
InChI=1SC23H28N6Oc15281217(14(3)2628)10168791821(19(1124)23(25)3022(16)18)201329(62)2715(20)4h10121321H5925H214H3b1610+
MFCD03074018
ZINC000000650492
ZINC000000650495
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