Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK302303
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=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/c1-4-31-17-24(33(35)36)26(29-31)28(34)32-27(19-10-14-22(38-3)15-11-19)23-7-5-6-20(25(23)30-32)16-18-8-12-21(37-2)13-9-18/h8-17,23,27H,4-7H2,1-3H3/b20-16+InChIKey
AZJLFQLGQOQLTN-CAPFRKAQSA-NSynonyms
512817-85-5(1ethyl4nitro1Hpyrazol3yl)((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
(1ETHYL4NITROPYRAZOL3YL)((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512817855
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)OC)C3=N2)C5=CC=C(C=C5)OC)(N+)(=O)(O)
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1nn(cc1(N+)(=O)(O))CC
InChI=1SC28H29N5O5c14311724(33(35)36)26(2931)28(34)3227(19101422(383)151119)2375620(25(23)3032)161881221(372)13918h8172327H47H213H3b2016+
MFCD03468174
ZINC000008455294
ZINC000008455297
Check stock
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