Vitas-M small molecule compound
2-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-4-bromophenyl 4-nitrobenzoate
Catalog ID
STK671418
SMILES Brc1ccc(c(c1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)OC(=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 C31H21BrN4O8 MW 657.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21BrN4O8/c32-23-9-13-26(44-31(39)21-7-10-24(11-8-21)36(40)41)22(16-23)17-33-35-30(38)25(34-29(37)20-4-2-1-3-5-20)14-19-6-12-27-28(15-19)43-18-42-27/h1-17H,18H2,(H,34,37)(H,35,38)/b25-14+,33-17+InChIKey
NSAMCARAYVUIEJ-FHQRAKFASA-NSynonyms
(2((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)4bromophenyl)4nitrobenzoate
2((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)4BROMOPHENYL4NITROBENZOATE
Brc1ccc(c(c1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))NC(=O)C5=CC=CC=C5
InChI=1SC31H21BrN4O8c322391326(4431(39)2171024(11821)36(40)41)22(1623)17333530(38)25(3429(37)204213520)14196122728(1519)43184227h117H18H2(H3437)(H3538)b2514+3317+
MFCD00313620
ZINC000150351812
ZINC150628915
Check stock
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Check stock on Vitas-MAvailable files
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