Vitas-M small molecule compound
(8E)-2-amino-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-8-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL397188
SMILES N#CC1=C(N)OC2=C(C1c1c(C)nn(c1C)c1ccccc1)CCC/C/2=C\c1c(C)nn(c1C)c1ccccc1
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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 C33H32N6O MW 528.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N6O/c1-20-28(22(3)38(36-20)25-13-7-5-8-14-25)18-24-12-11-17-27-31(29(19-34)33(35)40-32(24)27)30-21(2)37-39(23(30)4)26-15-9-6-10-16-26/h5-10,13-16,18,31H,11-12,17,35H2,1-4H3/b24-18+InChIKey
XSDNJIUICARRNJ-HKOYGPOVSA-NSynonyms
512808-96-7(8E)2amino4(35dimethyl1phenyl1Hpyrazol4yl)8((35dimethyl1phenyl1Hpyrazol4yl)methylidene)5678tetrahydro4Hchromene3carbonitrile
(8E)2amino4(35dimethyl1phenylpyrazol4yl)8((35dimethyl1phenylpyrazol4yl)methylidene)4567tetrahydrochromene3carbonitrile
512808967
CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3CCCC4=C3OC(=C(C4C5=C(N(N=C5C)C6=CC=CC=C6)C)C#N)N
InChI=1SC33H32N6Oc12028(22(3)38(3620)25137581425)18241211172731(29(1934)33(35)4032(24)27)3021(2)3739(23(30)4)261596101626h51013161831H11121735H214H3b2418+
MFCD03074280
N#CC1=C(N)OC2=C(C1c1c(C)nn(c1C)c1ccccc1)CCCC2=Cc1c(C)nn(c1C)c1ccccc1
ZINC000000650753
ZINC000002111336
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