Vitas-M small molecule compound
(E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK583614
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C26H21BrN2O7 MW 553.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O7/c1-34-20-12-16(10-17(27)24(20)31)22-21(23(30)15-2-3-18-19(11-15)36-9-8-35-18)25(32)26(33)29(22)13-14-4-6-28-7-5-14/h2-7,10-12,22,30-31H,8-9,13H2,1H3/b23-21+InChIKey
WWKDOCGGJYPFCF-XTQSDGFTSA-NSynonyms
620566-39-4(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620566394
COC1=C(C(=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=NC=C5)Br)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC26H21BrN2O7c134201216(1017(27)24(20)31)2221(23(30)15231819(1115)36983518)25(32)26(33)29(22)131446287514h271012223031H8913H21H3b2321+
MFCD07205774
ZINC000102595653
ZINC000102595658
Check stock
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Check stock on Vitas-MAvailable files
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