Vitas-M small molecule compound
(4-chloro-1-ethyl-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
STK302261
SMILES CCn1cc(c(n1)C(=O)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-])Cl
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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 C26H23ClN6O5 MW 534.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN6O5/c1-2-30-15-22(27)24(28-30)26(34)31-25(18-8-4-10-20(14-18)33(37)38)21-11-5-7-17(23(21)29-31)12-16-6-3-9-19(13-16)32(35)36/h3-4,6,8-10,12-15,21,25H,2,5,7,11H2,1H3/b17-12+InChIKey
MKHOQEPBUQNZRU-SFQUDFHCSA-NSynonyms
512817-29-7(4chloro1ethyl1Hpyrazol3yl)((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
(4CHLORO1ETHYLPYRAZOL3YL)((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512817297
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=N2)C5=CC(=CC=C5)(N+)(=O)(O))Cl
CCn1cc(c(n1)C(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O))Cl
InChI=1SC26H23ClN6O5c12301522(27)24(2830)26(34)3125(18841020(1418)33(37)38)21115717(23(21)2931)121663919(1316)32(35)36h34681012152125H25711H21H3b1712+
MFCD03467976
ZINC000008455436
ZINC000008455439
Check stock
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Check stock on Vitas-MAvailable files
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