Vitas-M small molecule compound
N-[(1E)-3-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK150765
SMILES COc1cc(ccc1OC)/C=C(\C(=O)N/N=C/c1cc2OCOc2cc1Br)/NC(=O)c1ccccc1
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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 C26H22BrN3O6 MW 552.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN3O6/c1-33-21-9-8-16(11-22(21)34-2)10-20(29-25(31)17-6-4-3-5-7-17)26(32)30-28-14-18-12-23-24(13-19(18)27)36-15-35-23/h3-14H,15H2,1-2H3,(H,29,31)(H,30,32)/b20-10+,28-14+InChIKey
GHBZIGQBIWQNPC-NFLNUXGFSA-NSynonyms
(2E)N((1E)2(6BROMO(2HBENZO(D)13DIOXOLAN5YL))1AZAVINYL)3(34DIMETHOXYPHENYL)2(PHENYLCARBONYLAMINO)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=C(C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)NC(=O)C4=CC=CC=C4)OC
COc1cc(ccc1OC)C=C(C(=O)NN=Cc1cc2OCOc2cc1Br)NC(=O)c1ccccc1
InChI=1SC26H22BrN3O6c133219816(1122(21)342)1020(2925(31)176435717)26(32)30281418122324(1319(18)27)36153523h314H15H212H3(H2931)(H3032)b2010+2814+
MFCD01146700
N((1E)3((2E)2((6BROMO13BENZODIOXOL5YL)METHYLIDENE)HYDRAZINYL)1(34DIMETHOXYPHENYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)3((2E)2((6bromo13benzodioxol5yl)methylidene)hydrazinyl)1(34dimethoxyphenyl)3oxoprop1en2yl)benzamide
ZINC000004150614
ZINC101626554
Check stock
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Check stock on Vitas-MAvailable files
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