Vitas-M small molecule compound
5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]-6-methyl-3-[2,3,5-tris-O-(phenylcarbonyl)pentofuranosyl]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL510899
SMILES COC(=O)/C=C/c1c(C)[nH]c(=O)n(c1=O)C1OC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=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 C35H30N2O11 MW 654.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O11/c1-21-25(18-19-27(38)44-2)30(39)37(35(43)36-21)31-29(48-34(42)24-16-10-5-11-17-24)28(47-33(41)23-14-8-4-9-15-23)26(46-31)20-45-32(40)22-12-6-3-7-13-22/h3-19,26,28-29,31H,20H2,1-2H3,(H,36,43)/b19-18+InChIKey
MKSSQIPSMKGBQX-VHEBQXMUSA-NSynonyms
(2R3R4R5R)2((benzoyloxy)methyl)5(5((E)3methoxy3oxoprop1en1yl)4methyl26dioxo23dihydropyrimidin1(6H)yl)tetrahydrofuran34diyldibenzoate
(34dibenzoyloxy5(5((~(E))3methoxy3oxoprop1enyl)6methyl24dioxo1~(H)pyrimidin3yl)oxolan2yl)methylbenzoate
5((1E)3methoxy3oxoprop1en1yl)6methyl3(235trisO(phenylcarbonyl)pentofuranosyl)pyrimidine24(1H3H)dione
5914470
COC(=O)C=Cc1c(C)(nH)c(=O)n(c1=O)(C@@H)1O(C@@H)((C@H)((C@H)1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
InChI=1SC35H30N2O11c12125(181927(38)442)30(39)37(35(43)3621)3129(4834(42)2416105111724)28(4733(41)23148491523)26(4631)204532(40)22126371322h31926282931H20H212H3(H3643)b1918+
MFCD02763797
ZINC000085867403
ZINC001772491125
Check stock
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Check stock on Vitas-MAvailable files
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