Vitas-M small molecule compound
2-(2-fluorophenoxy)-1-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STL286801
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)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/c1-35-23-14-10-20(11-15-23)18-22-6-5-7-25-29(22)32-33(30(25)21-12-16-24(36-2)17-13-21)28(34)19-37-27-9-4-3-8-26(27)31/h3-4,8-18,25,30H,5-7,19H2,1-2H3/b22-18+InChIKey
NLMHDTJIFNMAQZ-RELWKKBWSA-NSynonyms
2(2FLUOROPHENOXY)1((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
2(2fluorophenoxy)1((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)ethanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)COC5=CC=CC=C5F
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)COc1ccccc1F
InChI=1SC30H29FN2O4c13523141020(111523)18226572529(22)3233(30(25)21121624(362)171321)28(34)193727943826(27)31h348182530H5719H212H3b2218+
MFCD02703771
ZINC000015906556
ZINC000015906559
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