Vitas-M small molecule compound
2-(2-fluorophenoxy)-1-[(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STL112563
SMILES COc1ccccc1C1N(N=C2C1CCC/C/2=C\c1ccccc1OC)C(=O)COc1ccccc1F
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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 C30H29FN2O4 MW 500.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN2O4/c1-35-25-15-6-3-10-20(25)18-21-11-9-13-23-29(21)32-33(30(23)22-12-4-7-16-26(22)36-2)28(34)19-37-27-17-8-5-14-24(27)31/h3-8,10,12,14-18,23,30H,9,11,13,19H2,1-2H3/b21-18+InChIKey
RKJVWBVKEUTWPV-DYTRJAOYSA-NSynonyms
2(2fluorophenoxy)1((7E)3(2methoxyphenyl)7((2methoxyphenyl)methylidene)3a456tetrahydro3Hindazol2yl)ethanone
2(2fluorophenoxy)1((7E)7(2methoxybenzylidene)3(2methoxyphenyl)33a4567hexahydro2Hindazol2yl)ethanone
COC1=CC=CC=C1C=C2CCCC3C2=NN(C3C4=CC=CC=C4OC)C(=O)COC5=CC=CC=C5F
COc1ccccc1C1N(N=C2C1CCCC2=Cc1ccccc1OC)C(=O)COc1ccccc1F
InChI=1SC30H29FN2O4c1352515631020(25)1821119132329(21)3233(30(23)2212471626(22)362)28(34)19372717851424(27)31h38101214182330H9111319H212H3b2118+
MFCD20746974
ZINC000067321589
ZINC000067321602
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