Vitas-M small molecule compound

{(7E)-7-[4-(morpholin-4-yl)benzylidene]-3-[4-(morpholin-4-yl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone

Catalog ID
STL397998
SMILES O=C(N1N=C2C(C1c1ccc(cc1)N1CCOCC1)CCC/C/2=C\c1ccc(cc1)N1CCOCC1)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)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 C45H46F3N7O3 MW 789.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H46F3N7O3/c1-29(2)31-8-10-32(11-9-31)38-27-40(45(46,47)48)54-41(49-38)28-39(50-54)44(56)55-43(33-12-16-36(17-13-33)53-20-24-58-25-21-53)37-5-3-4-34(42(37)51-55)26-30-6-14-35(15-7-30)52-18-22-57-23-19-52/h6-17,26-29,37,43H,3-5,18-25H2,1-2H3/b34
InChIKey
PVTAFULPXLMJGV-JJNGWGCYSA-N
Synonyms
512814-83-4
((7E)3(4MORPHOLIN4YLPHENYL)7((4MORPHOLIN4YLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(4(morpholin4yl)benzylidene)3(4(morpholin4yl)phenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512814834
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC=C(C=C6)N7CCOCC7)C5=N4)C8=CC=C(C=C8)N9CCOCC9
InChI=1SC45H46F3N7O3c129(2)3181032(11931)382740(45(4647)48)5441(4938)2839(5054)44(56)5543(33121636(171333)53202458252153)3753434(42(37)5155)263061435(15730)52182257231952h61726293743H351825H212H3b3426+
MFCD03466996
O=C(N1N=C2C(C1c1ccc(cc1)N1CCOCC1)CCCC2=Cc1ccc(cc1)N1CCOCC1)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)C
ZINC000008450903
ZINC000008450906

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Available files

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