Vitas-M small molecule compound
[(7E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone
Catalog ID
STK302282
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C\c1ccc2c(c1)OCO2
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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 C28H25N5O7 MW 543.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O7/c1-2-31-13-20(33(35)36)26(29-31)28(34)32-27(18-7-9-22-24(12-18)40-15-38-22)19-5-3-4-17(25(19)30-32)10-16-6-8-21-23(11-16)39-14-37-21/h6-13,19,27H,2-5,14-15H2,1H3/b17-10+InChIKey
BVADIOQNARLZOG-LICLKQGHSA-NSynonyms
512817-55-9((7E)3(13benzodioxol5yl)7(13benzodioxol5ylmethylidene)33a4567hexahydro2Hindazol2yl)(1ethyl4nitro1Hpyrazol3yl)methanone
((7E)3(13BENZODIOXOL5YL)7(13BENZODIOXOL5YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
512817559
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=N2)C6=CC7=C(C=C6)OCO7)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1ccc3c(c1)OCO3)CCCC2=Cc1ccc2c(c1)OCO2
InChI=1SC28H25N5O7c12311320(33(35)36)26(2931)28(34)3227(18792224(1218)40153822)1953417(25(19)3032)1016682123(1116)39143721h6131927H251415H21H3b1710+
MFCD03468070
ZINC000008455399
ZINC000008455402
Check stock
See real-time availability and sample size for STK302282 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.