Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
Catalog ID
STK043756
SMILES CCOc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OCC)/C2=NN1C(=O)c1ccc(cc1)c1ncc(o1)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 C40H37N3O4 MW 623.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H37N3O4/c1-3-45-33-21-13-27(14-22-33)25-32-11-8-12-35-37(32)42-43(38(35)29-19-23-34(24-20-29)46-4-2)40(44)31-17-15-30(16-18-31)39-41-26-36(47-39)28-9-6-5-7-10-28/h5-7,9-10,13-26,35,38H,3-4,8,11-12H2,1-2H3/b32-25+InChIKey
FVHRAYIBGQJUDS-WGPBWIAQSA-NSynonyms
((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4(5PHENYL13OXAZOL2YL)PHENYL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(5phenyl13oxazol2yl)phenyl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=C(C=C5)C6=NC=C(O6)C7=CC=CC=C7
CCOc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OCC)C2=NN1C(=O)c1ccc(cc1)c1ncc(o1)c1ccccc1
InChI=1SC40H37N3O4c134533211327(142233)2532118123537(32)4243(38(35)29192334(242029)4642)40(44)31171530(161831)39412636(4739)2896571028h5791013263538H3481112H212H3b3225+
MFCD01627372
STK043756
ZINC000008444254
ZINC000008444261
Check stock
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Check stock on Vitas-MAvailable files
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