Vitas-M small molecule compound
3'-[(4-fluorophenyl)carbonyl]-2'-(4-methoxyphenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Catalog ID
STL234486
SMILES COc1ccc(cc1)C1C(C(=O)c2ccc(cc2)F)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 C30H25FN2O6 MW 528.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25FN2O6/c1-29(2)38-27(35)30(28(36)39-29)23(17-10-14-21(37-3)15-11-17)24(25(34)18-8-12-20(31)13-9-18)33-26(30)22-7-5-4-6-19(22)16-32-33/h4-16,23-24,26H,1-3H3InChIKey
UAWTXEDKBMWDPF-UHFFFAOYSA-NSynonyms
(2S3S)3(4fluorobenzoyl)2(4methoxyphenyl)22dimethyl310bdihydro2Hspiro((13)dioxane51pyrrolo(21a)phthalazine)46dione
3((4fluorophenyl)carbonyl)2(4methoxyphenyl)22dimethyl23dihydro10bHspiro(13dioxane51pyrrolo(21a)phthalazine)46dione
3(4fluorobenzoyl)2(4methoxyphenyl)22dimethylspiro(13dioxane51310bdihydro2Hpyrrolo(21a)phthalazine)46dione
CC1(OC(=O)C2(C(C(N3C2C4=CC=CC=C4C=N3)C(=O)C5=CC=C(C=C5)F)C6=CC=C(C=C6)OC)C(=O)O1)C
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)F)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
InChI=1SC30H25FN2O6c129(2)3827(35)30(28(36)3929)23(17101421(373)151117)24(25(34)1881220(31)13918)3326(30)22754619(22)163233h416232426H13H3
MFCD07200857
ZINC000101103191
ZINC000247973456
Check stock
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Check stock on Vitas-MAvailable files
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