Vitas-M small molecule compound
2-chloro-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK006459
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(C)C)/NC(=O)c2ccccc2Cl)ccc1Oc1ccc(cc1[N+](=O)[O-])[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 C32H27ClN6O8 MW 659.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN6O8/c1-37(2)22-11-8-20(9-12-22)16-26(35-31(40)24-6-4-5-7-25(24)33)32(41)36-34-19-21-10-14-29(30(17-21)46-3)47-28-15-13-23(38(42)43)18-27(28)39(44)45/h4-19H,1-3H3,(H,35,40)(H,36,41)/b26-16+,34-19+InChIKey
LWXLUYUMUIDPNS-MZMVNHFESA-NSynonyms
2CHLORON((1E)1(4(DIMETHYLAMINO)PHENYL)3((2E)2(4(24DINITROPHENOXY)3METHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
2chloroN((E)1(4(dimethylamino)phenyl)3((2E)2((4(24dinitrophenoxy)3methoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))OC)NC(=O)C4=CC=CC=C4Cl
COc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(C)C)NC(=O)c2ccccc2Cl)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC32H27ClN6O8c137(2)2211820(91222)1626(3531(40)24645725(24)33)32(41)36341921101429(30(1721)463)4728151323(38(42)43)1827(28)39(44)45h419H13H3(H3540)(H3641)b2616+3419+
MFCD01147793
STK006459
ZINC000150398047
ZINC150651810
Check stock
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Check stock on Vitas-MAvailable files
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