Vitas-M small molecule compound
4-[2,4-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-6-oxopyrimidin-1(6H)-yl]benzoic acid
Catalog ID
STL531813
SMILES COc1ccc2c(c1)c1CCNC(c1[nH]2)c1c(O)nc(n(c1=O)c1ccc(cc1)C(=O)O)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 C23H20N4O6 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6/c1-33-13-6-7-16-15(10-13)14-8-9-24-19(18(14)25-16)17-20(28)26-23(32)27(21(17)29)12-4-2-11(3-5-12)22(30)31/h2-7,10,19,24-25,28H,8-9H2,1H3,(H,26,32)(H,30,31)InChIKey
GISWXJGBESOJCZ-UHFFFAOYSA-NSynonyms
4(24dihydroxy5(6methoxy2349tetrahydro1Hbetacarbolin1yl)6oxopyrimidin1(6H)yl)benzoicacid
InChI=1SC23H20N4O6c13313671615(1013)14892419(18(14)2516)1720(28)2623(32)27(21(17)29)124211(3512)22(30)31h271019242528H89H21H3(H2632)(H3031)
MFCD07205417
ZINC000002133026
ZINC000009331433
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