Vitas-M small molecule compound
9-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-O-methyl-beta-D-ribofuranosyl}-N-[(4-tert-butylphenoxy)acetyl]-6-{[3-(4-nitrophenyl)propanoyl]oxy}-5,9-dihydro-4H-purin-2-amine
Catalog ID
STK368459
SMILES COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)N1C=NC2C1N=C(NC(=O)COc1ccc(cc1)C(C)(C)C)N=C2OC(=O)CCc1ccc(cc1)[N+](=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 C53H56N6O12 MW 969.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C53H56N6O12/c1-52(2,3)34-15-27-41(28-16-34)68-31-43(60)55-51-56-48-45(49(57-51)71-44(61)29-14-33-12-21-38(22-13-33)59(63)64)54-32-58(48)50-47(67-6)46(62)42(70-50)30-69-53(35-10-8-7-9-11-35,36-17-23-39(65-4)24-18-36)37-19-25-40(66-5)26-20-37/h7-13InChIKey
IBHMKUUGLBHRIS-QXPJYSDZSA-NSynonyms
(9((2R3R4R5R)5((bis(4methoxyphenyl)phenylmethoxy)methyl)4hydroxy3methoxyoxolan2yl)2((2(4tertbutylphenoxy)acetyl)amino)45dihydropurin6yl)3(4nitrophenyl)propanoate
9((4S2R3R5R)5((BIS(4METHOXYPHENYL)PHENYLMETHOXY)METHYL)4HYDROXY3METHOXYOXOLAN2YL)2(2(4(TERTBUTYL)PHENOXY)ACETYLAMINO)45DIHYDROPURIN6YL3(4NITROPHENYL)PROPANOATE
9(5O(bis(4methoxyphenyl)(phenyl)methyl)2OmethylbetaDribofuranosyl)N((4tertbutylphenoxy)acetyl)6((3(4nitrophenyl)propanoyl)oxy)59dihydro4Hpurin2amine
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=NC3C(C(=N2)OC(=O)CCC4=CC=C(C=C4)(N+)(=O)(O))N=CN3C5C(C(C(O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O)OC
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC(C@H)1O(C@H)((C@@H)((C@@H)1O)OC)N1C=NC2C1N=C(NC(=O)COc1ccc(cc1)C(C)(C)C)N=C2OC(=O)CCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC53H56N6O12c152(23)34152741(281634)683143(60)5551564845(49(5751)7144(61)291433122138(221333)59(63)64)543258(48)5047(676)46(62)42(7050)306953(3510879113536172339(654)241836)37192540(665)262037h7131528324245485062H142931H216H3(H555660)t4245?464
MFCD12405214
ZINC000150390864
ZINC000150390872
Check stock
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Check stock on Vitas-MAvailable files
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