Vitas-M small molecule compound
[(7Z)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(phenylcarbonyl)phenyl]methanone
Catalog ID
STK889206
SMILES CCOc1ccc(cc1)C1C2CCC/C(=C/c3ccc(cc3)OCC)/C2=NN1C(=O)c1ccc(cc1)C(=O)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 C38H36N2O4 MW 584.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N2O4/c1-3-43-32-21-13-26(14-22-32)25-31-11-8-12-34-35(31)39-40(36(34)27-19-23-33(24-20-27)44-4-2)38(42)30-17-15-29(16-18-30)37(41)28-9-6-5-7-10-28/h5-7,9-10,13-25,34,36H,3-4,8,11-12H2,1-2H3/b31-25-InChIKey
DABHRNBWLOJBFQ-GDWJVWIDSA-NSynonyms
((7Z)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(phenylcarbonyl)phenyl)methanone
(4((7Z)3(4ethoxyphenyl)7((4ethoxyphenyl)methylidene)3a456tetrahydro3Hindazole2carbonyl)phenyl)phenylmethanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6
CCOc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OCC)C2=NN1C(=O)c1ccc(cc1)C(=O)c1ccccc1
InChI=1SC38H36N2O4c134332211326(142232)2531118123435(31)3940(36(34)27192333(242027)4442)38(42)30171529(161830)37(41)2896571028h5791013253436H3481112H212H3b3125
MFCD02702684
ZINC000097965193
ZINC000097965196
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