Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK302227
SMILES COc1ccccc1C1C2CCC/C(=C\c3ccccc3OC)/C2=NN1C(=O)c1nn(cc1[N+](=O)[O-])CC
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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 C28H29N5O5 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5/c1-4-31-17-22(33(35)36)26(29-31)28(34)32-27(20-12-6-8-15-24(20)38-3)21-13-9-11-19(25(21)30-32)16-18-10-5-7-14-23(18)37-2/h5-8,10,12,14-17,21,27H,4,9,11,13H2,1-3H3/b19-16+InChIKey
RQZOHTMFBHCNSE-KNTRCKAVSA-NSynonyms
512816-85-2(1ethyl4nitro1Hpyrazol3yl)((7E)7(2methoxybenzylidene)3(2methoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
(1ETHYL4NITROPYRAZOL3YL)((7E)3(2METHOXYPHENYL)7((2METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512816852
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4OC)C3=N2)C5=CC=CC=C5OC)(N+)(=O)(O)
COc1ccccc1C1C2CCCC(=Cc3ccccc3OC)C2=NN1C(=O)c1nn(cc1(N+)(=O)(O))CC
InChI=1SC28H29N5O5c14311722(33(35)36)26(2931)28(34)3227(2012681524(20)383)211391119(25(21)3032)161810571423(18)372h58101214172127H491113H213H3b1916+
MFCD03467763
ZINC000008455461
ZINC000008455464
Check stock
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Check stock on Vitas-MAvailable files
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