Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK513898
SMILES COc1cc(/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 C31H23N5O10 MW 625.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N5O10/c1-43-28-15-20(8-11-27(28)46-25-12-9-22(35(39)40)16-24(25)36(41)42)17-32-34-31(38)23(33-30(37)21-5-3-2-4-6-21)13-19-7-10-26-29(14-19)45-18-44-26/h2-17H,18H2,1H3,(H,33,37)(H,34,38)/b23-13+,32-17+InChIKey
WTAPVVLOSSHBGU-YJJRCXJKSA-NSynonyms
COC1=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)
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC31H23N5O10c143281520(81127(28)462512922(35(39)40)1624(25)36(41)42)17323431(38)23(3330(37)215324621)13197102629(1419)45184426h217H18H21H3(H3337)(H3438)b2313+3217+
MFCD01146948
N((1E)1(13benzodioxol5yl)3((2E)2(4(24dinitrophenoxy)3methoxybenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((4(24dinitrophenoxy)3methoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
ZINC000150402685
ZINC158026155
Check stock
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Check stock on Vitas-MAvailable files
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