Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK513858
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)[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 C32H24N4O9 MW 608.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24N4O9/c1-42-28-17-21(8-14-27(28)45-32(39)23-9-11-24(12-10-23)36(40)41)18-33-35-31(38)25(34-30(37)22-5-3-2-4-6-22)15-20-7-13-26-29(16-20)44-19-43-26/h2-18H,19H2,1H3,(H,34,37)(H,35,38)/b25-15+,33-18+InChIKey
NKUPTWNCXDJYOX-FSAKPIMFSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC32H24N4O9c142281721(81427(28)4532(39)2391124(121023)36(40)41)18333531(38)25(3430(37)225324622)15207132629(1620)44194326h218H19H21H3(H3437)(H3538)b2515+3318+
MFCD13370502
ZINC000102276068
ZINC33354834
Check stock
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Check stock on Vitas-MAvailable files
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