Vitas-M small molecule compound
3-[(4-{(Z)-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK620478
SMILES OC(=O)c1cccc(c1)COc1ccc(cc1)/C=C\1/C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)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 C26H18N2O8 MW 486.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N2O8/c29-23-20(24(30)28(26(33)27-23)18-6-9-21-22(12-18)36-14-35-21)11-15-4-7-19(8-5-15)34-13-16-2-1-3-17(10-16)25(31)32/h1-12H,13-14H2,(H,31,32)(H,27,29,33)/b20-11-InChIKey
FYZBCECBJSFZPX-JAIQZWGSSA-NSynonyms
3((4((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((Z)(1(13benzodioxol5yl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC(=C5)C(=O)O)C(=O)NC3=O
InChI=1SC26H18N2O8c292320(24(30)28(26(33)2723)18692122(1218)36143521)11154719(8515)34131621317(1016)25(31)32h112H1314H2(H3132)(H272933)b2011
MFCD09796508
OC(=O)c1cccc(c1)COc1ccc(cc1)C=C1C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O
ZINC000033352214
ZINC33352214
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