Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL403216
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[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 C26H23N7O7 MW 545.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N7O7/c1-2-29-15-22(33(39)40)24(27-29)26(34)30-25(18-8-4-10-20(14-18)32(37)38)21-11-5-7-17(23(21)28-30)12-16-6-3-9-19(13-16)31(35)36/h3-4,6,8-10,12-15,21,25H,2,5,7,11H2,1H3/b17-12+InChIKey
VYXMSYOEPBOPMV-SFQUDFHCSA-NSynonyms
512817-05-9(1ethyl4nitro1Hpyrazol3yl)((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
(1ETHYL4NITROPYRAZOL3YL)((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512817059
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=N2)C5=CC(=CC=C5)(N+)(=O)(O))(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N7O7c12291522(33(39)40)24(2729)26(34)3025(18841020(1418)32(37)38)21115717(23(21)2830)121663919(1316)31(35)36h34681012152125H25711H21H3b1712+
MFCD03467880
ZINC000008455455
ZINC000008455458
Check stock
See real-time availability and sample size for STL403216 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.