Vitas-M small molecule compound
1-[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK889106
SMILES CC(=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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-14(27)24-22(17-7-3-9-19(13-17)26(30)31)20-10-4-6-16(21(20)23-24)11-15-5-2-8-18(12-15)25(28)29/h2-3,5,7-9,11-13,20,22H,4,6,10H2,1H3/b16-11+InChIKey
YAJBOVCZITWZKR-LFIBNONCSA-NSynonyms
1((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
1((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)ethanone
CC(=O)N1C(C2CCCC(=CC3=CC(=CC=C3)(N+)(=O)(O))C2=N1)C4=CC(=CC=C4)(N+)(=O)(O)
CC(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20N4O5c114(27)2422(1773919(1317)26(30)31)20104616(21(20)2324)111552818(1215)25(28)29h2357911132022H4610H21H3b1611+
MFCD01627193
ZINC000012379349
ZINC000015659062
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