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}(2-phenylquinolin-4-yl)methanone
Catalog ID
STK889228
SMILES O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1ccc(cc1)N1CCOCC1)CCC/C/2=C\c1ccc(cc1)N1CCOCC1
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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 C44H43N5O3 MW 689.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H43N5O3/c50-44(39-30-41(32-7-2-1-3-8-32)45-40-12-5-4-10-37(39)40)49-43(33-15-19-36(20-16-33)48-23-27-52-28-24-48)38-11-6-9-34(42(38)46-49)29-31-13-17-35(18-14-31)47-21-25-51-26-22-47/h1-5,7-8,10,12-20,29-30,38,43H,6,9,11,21-28H2/b34-29+InChIKey
IXAHVMZDTXTIBD-RIHQVDFKSA-NSynonyms
((7E)3(4MORPHOLIN4YLPHENYL)7((4MORPHOLIN4YLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(2PHENYLQUINOLIN4YL)METHANONE
((7E)7(4(morpholin4yl)benzylidene)3(4(morpholin4yl)phenyl)33a4567hexahydro2Hindazol2yl)(2phenylquinolin4yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)N4CCOCC4)C1)C(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7)C8=CC=C(C=C8)N9CCOCC9
InChI=1SC44H43N5O3c5044(393041(327213832)454012541037(39)40)4943(33151936(201633)48232752282448)38116934(42(38)4649)2931131735(181431)47212551262247h157810122029303843H69112128H2b3429+
MFCD03154166
O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1ccc(cc1)N1CCOCC1)CCCC2=Cc1ccc(cc1)N1CCOCC1
ZINC000097965211
ZINC000097965214
Check stock
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