Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-ethoxy-4-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK089559
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC
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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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-3-34-24-15-19(10-11-22(24)33-2)16-28-30-27(32)21(29-26(31)20-7-5-4-6-8-20)13-18-9-12-23-25(14-18)36-17-35-23/h4-16H,3,17H2,1-2H3,(H,29,31)(H,30,32)/b21-13+,28-16+InChIKey
LVDZZACMNZDDRE-RMLRSCLLSA-NSynonyms
CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC
InChI=1SC27H25N3O6c1334241519(101122(24)332)16283027(32)21(2926(31)207546820)13189122325(1418)36173523h416H317H212H3(H2931)(H3032)b2113+2816+
MFCD01146935
N((1E)1(13BENZODIOXOL5YL)3((2E)2(3ETHOXY4METHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((3ethoxy4methoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK089559
ZINC000009724626
ZINC33793862
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