Vitas-M small molecule compound
methyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-(6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)propanoate
Catalog ID
STL243738
SMILES COC(=O)CC(c1cc2cc3OCOc3cc2[nH]c1=O)c1c(O)cc(nc1O)C
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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 C20H18N2O7 MW 398.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7/c1-9-3-14(23)18(20(26)21-9)11(6-17(24)27-2)12-4-10-5-15-16(29-8-28-15)7-13(10)22-19(12)25/h3-5,7,11H,6,8H2,1-2H3,(H,22,25)(H2,21,23,26)InChIKey
JHRMLDGKDREOHC-UHFFFAOYSA-NSynonyms
1374542-90-11374542901
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=CC3=CC4=C(C=C3NC2=O)OCO4)O
COC(=O)CC(c1cc2cc3OCOc3cc2(nH)c1=O)c1c(O)cc(nc1O)C
InChI=1SC20H18N2O7c19314(23)18(20(26)219)11(617(24)272)1241051516(2982815)713(10)2219(12)25h35711H68H212H3(H2225)(H2212326)
methyl3(24dihydroxy6methylpyridin3yl)3(6oxo56dihydro(13)dioxolo(45g)quinolin7yl)propanoate
methyl3(4hydroxy6methyl2oxo1Hpyridin3yl)3(6oxo5H(13)dioxolo(45g)quinolin7yl)propanoate
MFCD24859730
ZINC000072406388
ZINC000072406389
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