Vitas-M small molecule compound

N-[(1E)-1-[4-(dimethylamino)phenyl]-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide

Catalog ID
STK513971
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(C)C)/NC(=O)c2ccccc2)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 C33H30N6O8 MW 638.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N6O8/c1-4-46-31-19-23(12-16-30(31)47-29-17-15-26(38(42)43)20-28(29)39(44)45)21-34-36-33(41)27(35-32(40)24-8-6-5-7-9-24)18-22-10-13-25(14-11-22)37(2)3/h5-21H,4H2,1-3H3,(H,35,40)(H,36,41)/b27-18+,34-21+
InChIKey
DFQPSBJACSFDEU-AKUIJWTPSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC=C(C=C2)N(C)C)NC(=O)C3=CC=CC=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(C)C)NC(=O)c2ccccc2)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC33H30N6O8c1446311923(121630(31)4729171526(38(42)43)2028(29)39(44)45)21343633(41)27(3532(40)248657924)1822101325(141122)37(2)3h521H4H213H3(H3540)(H3641)b2718+3421+
MFCD01146901
N((1E)1(4(dimethylamino)phenyl)3((2E)2(4(24dinitrophenoxy)3ethoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(4(dimethylamino)phenyl)3((2E)2((4(24dinitrophenoxy)3ethoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000150402799
ZINC158032902

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.