Vitas-M small molecule compound
1-[(7Z)-7-(3-ethoxybenzylidene)-3-(3-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(naphthalen-2-yloxy)ethanone
Catalog ID
STK889266
SMILES CCOc1cccc(c1)C1N(N=C2C1CCC/C/2=C/c1cccc(c1)OCC)C(=O)COc1ccc2c(c1)cccc2
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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 C36H36N2O4 MW 560.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O4/c1-3-40-30-15-7-10-25(21-30)20-28-13-9-17-33-35(28)37-38(36(33)29-14-8-16-31(23-29)41-4-2)34(39)24-42-32-19-18-26-11-5-6-12-27(26)22-32/h5-8,10-12,14-16,18-23,33,36H,3-4,9,13,17,24H2,1-2H3/b28-20-InChIKey
NYDYGHXZDVXKSZ-RRAHZORUSA-NSynonyms
1((7Z)3(3ETHOXYPHENYL)7((3ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2NAPHTHALEN2YLOXYETHANONE
1((7Z)7(3ethoxybenzylidene)3(3ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2(naphthalen2yloxy)ethanone
CCOC1=CC=CC(=C1)C=C2CCCC3C2=NN(C3C4=CC(=CC=C4)OCC)C(=O)COC5=CC6=CC=CC=C6C=C5
CCOc1cccc(c1)C1N(N=C2C1CCCC2=Cc1cccc(c1)OCC)C(=O)COc1ccc2c(c1)cccc2
InChI=1SC36H36N2O4c1340301571025(2130)2028139173335(28)3738(36(33)291481631(2329)4142)34(39)24423219182611561227(26)2232h581012141618233336H349131724H212H3b2820
MFCD03489659
ZINC000097965241
ZINC000097965244
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