Vitas-M small molecule compound
[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone
Catalog ID
STK302259
SMILES CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc(c(c1)OC)OC)CCC/C/2=C\c1ccc(c(c1)OC)OC)[N+](=O)[O-]
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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 C30H33N5O7 MW 575.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O7/c1-6-33-17-22(35(37)38)28(31-33)30(36)34-29(20-11-13-24(40-3)26(16-20)42-5)21-9-7-8-19(27(21)32-34)14-18-10-12-23(39-2)25(15-18)41-4/h10-17,21,29H,6-9H2,1-5H3/b19-14+InChIKey
PCAMQWSSCWUNDY-XMHGGMMESA-NSynonyms
512817-23-1((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(1ethyl4nitro1Hpyrazol3yl)methanone
512817231
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC(=C(C=C4)OC)OC)C3=N2)C5=CC(=C(C=C5)OC)OC)(N+)(=O)(O)
CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc(c(c1)OC)OC)CCCC2=Cc1ccc(c(c1)OC)OC)(N+)(=O)(O)
InChI=1SC30H33N5O7c16331722(35(37)38)28(3133)30(36)3429(20111324(403)26(1620)425)2197819(27(21)3234)1418101223(392)25(1518)414h10172129H69H215H3b1914+
MFCD03467958
ZINC000008455432
ZINC000008455435
Check stock
See real-time availability and sample size for STK302259 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.