Vitas-M small molecule compound

3'-(2,2-dimethylpropanoyl)-2'-(4-fluorophenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione

Catalog ID
STL241054
SMILES Fc1ccc(cc1)C1C(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 C27H27FN2O5 MW 478.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O5/c1-25(2,3)22(31)20-19(15-10-12-17(28)13-11-15)27(23(32)34-26(4,5)35-24(27)33)21-18-9-7-6-8-16(18)14-29-30(20)21/h6-14,19-21H,1-5H3
InChIKey
XFQARDXECZXIJC-UHFFFAOYSA-N
Synonyms

(2S3S)2(4fluorophenyl)22dimethyl3pivaloyl310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazine)46dione
3(22dimethylpropanoyl)2(4fluorophenyl)22dimethyl23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazine)46dione
3(22dimethylpropanoyl)2(4fluorophenyl)22dimethylspiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)46dione
CC1(OC(=O)C2(C(C(N3C2C4=CC=CC=C4C=N3)C(=O)C(C)(C)C)C5=CC=C(C=C5)F)C(=O)O1)C
Fc1ccc(cc1)(C@@H)1(C@H)(N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)C
InChI=1SC27H27FN2O5c125(23)22(31)2019(15101217(28)131115)27(23(32)3426(45)3524(27)33)2118976816(18)142930(20)21h6141921H15H3
MFCD24859063
ZINC000013770554
ZINC000229901176

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Available files

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