Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone
Catalog ID
STK302248
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)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 C30H33N5O5 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O5/c1-4-33-19-26(35(37)38)28(31-33)30(36)34-29(21-12-16-24(17-13-21)40-6-3)25-9-7-8-22(27(25)32-34)18-20-10-14-23(15-11-20)39-5-2/h10-19,25,29H,4-9H2,1-3H3/b22-18+InChIKey
JIZBZIOCNVYPER-RELWKKBWSA-NSynonyms
512817-14-0((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(1ethyl4nitro1Hpyrazol3yl)methanone
512817140
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)OCC)C3=N2)C5=CC=C(C=C5)OCC)(N+)(=O)(O)
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1nn(cc1(N+)(=O)(O))CC
InChI=1SC30H33N5O5c14331926(35(37)38)28(3133)30(36)3429(21121624(171321)4063)2597822(27(25)3234)1820101423(151120)3952h10192529H49H213H3b2218+
MFCD03467925
ZINC000101994367
ZINC000103639161
Check stock
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