Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK513899
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/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 C32H25N5O10 MW 639.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N5O10/c1-2-44-30-16-21(9-12-28(30)47-26-13-10-23(36(40)41)17-25(26)37(42)43)18-33-35-32(39)24(34-31(38)22-6-4-3-5-7-22)14-20-8-11-27-29(15-20)46-19-45-27/h3-18H,2,19H2,1H3,(H,34,38)(H,35,39)/b24-14+,33-18+InChIKey
YQJYZQUTXPVVBR-RHWQVYBYSA-NSynonyms
CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC32H25N5O10c1244301621(91228(30)4726131023(36(40)41)1725(26)37(42)43)18333532(39)24(3431(38)226435722)14208112729(1520)46194527h318H219H21H3(H3438)(H3539)b2414+3318+
MFCD01146949
N((1E)1(13benzodioxol5yl)3((2E)2(4(24dinitrophenoxy)3ethoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((4(24dinitrophenoxy)3ethoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000150402690
ZINC158026629
Check stock
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Check stock on Vitas-MAvailable files
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