Vitas-M small molecule compound

4-[(2'R,3'R)-3'-(2,2-dimethylpropanoyl)-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
STK556015
SMILES COc1cc(ccc1OC(=O)C)[C@H]1[C@@H](N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)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 C30H32N2O8 MW 548.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O8/c1-16(33)38-20-13-12-17(14-21(20)37-7)22-23(25(34)28(2,3)4)32-24(19-11-9-8-10-18(19)15-31-32)30(22)26(35)39-29(5,6)40-27(30)36/h8-15,22-24H,1-7H3/t22-,23+,24?/m0/s1
InChIKey
YVVHXEQKDFVAFJ-XAGPSQNTSA-N
Synonyms
1177806-37-9
(4((2R3R)3(22dimethylpropanoyl)22dimethyl46dioxospiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)2yl)2methoxyphenyl)acetate
1177806379
4((2R3R)22dimethyl46dioxo3pivaloyl310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazin)2yl)2methoxyphenylacetate
4((2R3R)3(22dimethylpropanoyl)22dimethyl46dioxo23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazin)2yl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C2C(N3C(C24C(=O)OC(OC4=O)(C)C)C5=CC=CC=C5C=N3)C(=O)C(C)(C)C)OC
COc1cc(ccc1OC(=O)C)(C@H)1(C@@H)(N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)C
InChI=1SC30H32N2O8c116(33)3820131217(1421(20)377)2223(25(34)28(23)4)3224(1911981018(19)153132)30(22)26(35)3929(56)4027(30)36h8152224H17H3t2223+24?m0s1
ZINC000101043264
ZINC000101043266

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Available files

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