Vitas-M small molecule compound

[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STL403445
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1

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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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-2-29-17-22(31(33)34)24(27-29)26(32)30-25(19-12-7-4-8-13-19)21-15-9-14-20(23(21)28-30)16-18-10-5-3-6-11-18/h3-8,10-13,16-17,21,25H,2,9,14-15H2,1H3/b20-16-
InChIKey
WZHHHDJSUCNATG-SILNSSARSA-N
Synonyms

((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(1ethyl4nitro1Hpyrazol3yl)methanone
((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)(1ethyl4nitropyrazol3yl)methanone
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC26H25N5O3c12291722(31(33)34)24(2729)26(32)3025(19127481319)211591420(23(21)2830)1618105361118h38101316172125H291415H21H3b2016
MFCD28952636
ZINC000097437079
ZINC000098087416

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Available files

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