Vitas-M small molecule compound
3-({4-({4-[chloro(difluoro)methoxy]phenyl}amino)-6-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]-1,3,5-triazin-2-yl}amino)propan-1-ol
Catalog ID
STK678902
SMILES OCCCNc1nc(Nc2ccc(cc2)OC(Cl)(F)F)nc(n1)N1CCN(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 C27H36ClF2N7O2 MW 564.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36ClF2N7O2/c28-27(29,30)39-22-4-2-21(3-5-22)32-24-33-23(31-6-1-11-38)34-25(35-24)36-7-9-37(10-8-36)26-15-18-12-19(16-26)14-20(13-18)17-26/h2-5,18-20,38H,1,6-17H2,(H2,31,32,33,34,35)InChIKey
YFUYMLLGLJOELK-UHFFFAOYSA-NSynonyms
3((4((4(chloro(difluoro)methoxy)phenyl)amino)6(4(tricyclo(3311~37~)dec1yl)piperazin1yl)135triazin2yl)amino)propan1ol
3((4(4(1ADAMANTYL)PIPERAZIN1YL)6(4(CHLORO(DIFLUORO)METHOXY)ANILINO)135TRIAZIN2YL)AMINO)PROPAN1OL
3((4(4ADAMANTANYLPIPERAZINYL)6((4(CHLORODIFLUOROMETHOXY)PHENYL)AMINO)135TRIAZIN2YL)AMINO)PROPAN1OL
C1CN(CCN1C2=NC(=NC(=N2)NCCCO)NC3=CC=C(C=C3)OC(F)(F)Cl)C45CC6CC(C4)CC(C6)C5
InChI=1SC27H36ClF2N7O2c2827(2930)39224221(3522)32243323(31611138)3425(3524)367937(10836)2615181219(1626)1420(1318)1726h25182038H1617H2(H23132333435)
MFCD03308323
ZINC000098005057
ZINC98005057
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