Vitas-M small molecule compound

5-fluoro-N,N'-bis[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]pyrimidine-2,4-diamine

Catalog ID
STK014602
SMILES Fc1cnc(nc1Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3

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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 C36H41FN4 MW 548.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41FN4/c37-32-21-38-34(40-31-7-3-29(4-8-31)36-18-25-12-26(19-36)14-27(13-25)20-36)41-33(32)39-30-5-1-28(2-6-30)35-15-22-9-23(16-35)11-24(10-22)17-35/h1-8,21-27H,9-20H2,(H2,38,39,40,41)
InChIKey
PSXLNKRDJGDMQG-UHFFFAOYSA-N
Synonyms

(4ADAMANTANYLPHENYL)(2((4ADAMANTANYLPHENYL)AMINO)5FLUOROPYRIMIDIN4YL)AMINE
2N4NBIS(4(1ADAMANTYL)PHENYL)5FLUOROPYRIMIDINE24DIAMINE
5fluoroNNbis(4(tricyclo(3311~37~)dec1yl)phenyl)pyrimidine24diamine
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=NC(=NC=C5F)NC6=CC=C(C=C6)C78CC9CC(C7)CC(C9)C8
Fc1cnc(nc1Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC36H41FN4c3732213834(40317329(4831)3618251226(1936)1427(1325)2036)4133(32)39305128(2630)351522923(1635)1124(1022)1735h182127H920H2(H238394041)
MFCD03547303
STK014602
ZINC000100298434
ZINC100298434

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.