Vitas-M small molecule compound
(8E)-2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK956027
SMILES CCn1nc(c(c1C)/C=C/1\CCCC2=C1OC(=C(C2c1c(C)nn(c1C)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 C25H32N6O MW 432.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N6O/c1-7-30-16(5)20(14(3)28-30)12-18-10-9-11-19-23(21(13-26)25(27)32-24(18)19)22-15(4)29-31(8-2)17(22)6/h12,23H,7-11,27H2,1-6H3/b18-12+InChIKey
MTEOLTPQUYIJGB-LDADJPATSA-NSynonyms
1164507-18-9(8E)2amino4(1ethyl35dimethyl1Hpyrazol4yl)8((1ethyl35dimethyl1Hpyrazol4yl)methylidene)5678tetrahydro4Hchromene3carbonitrile
(8E)2amino4(1ethyl35dimethylpyrazol4yl)8((1ethyl35dimethylpyrazol4yl)methylidene)4567tetrahydrochromene3carbonitrile
1164507189
CCN1C(=C(C(=N1)C)C=C2CCCC3=C2OC(=C(C3C4=C(N(N=C4C)CC)C)C#N)N)C
CCn1nc(c(c1C)C=C1CCCC2=C1OC(=C(C2c1c(C)nn(c1C)CC)C#N)N)C
InChI=1SC25H32N6Oc173016(5)20(14(3)2830)1218109111923(21(1326)25(27)3224(18)19)2215(4)2931(82)17(22)6h1223H71127H216H3b1812+
MFCD03074064
ZINC000000650541
ZINC000000650543
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