Vitas-M small molecule compound
4-[(2'R,3'R)-3'-acetyl-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenyl acetate
Catalog ID
STK555326
SMILES COc1cc(ccc1OC(=O)C)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
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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 C27H26N2O8 MW 506.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O8/c1-14(30)22-21(16-10-11-19(35-15(2)31)20(12-16)34-5)27(24(32)36-26(3,4)37-25(27)33)23-18-9-7-6-8-17(18)13-28-29(22)23/h6-13,21-23H,1-5H3/t21-,22-,23?/m0/s1InChIKey
VESUMBFJRABQSF-OJSMNCEXSA-NSynonyms
1212494-55-7(4((2R3R)3acetyl22dimethyl46dioxospiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)2yl)2methoxyphenyl)acetate
1212494557
4((2R3R)3acetyl22dimethyl46dioxo23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazin)2yl)2methoxyphenylacetate
4((2R3R)3acetyl22dimethyl46dioxo310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazin)2yl)2methoxyphenylacetate
CC(=O)C1C(C2(C3N1N=CC4=CC=CC=C34)C(=O)OC(OC2=O)(C)C)C5=CC(=C(C=C5)OC(=O)C)OC
COc1cc(ccc1OC(=O)C)(C@H)1(C@H)(C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
InChI=1SC27H26N2O8c114(30)2221(16101119(3515(2)31)20(1216)345)27(24(32)3626(34)3725(27)33)2318976817(18)132829(22)23h6132123H15H3t212223?m0s1
ZINC000008856574
ZINC000013510731
Check stock
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Check stock on Vitas-MAvailable files
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