Vitas-M small molecule compound
methyl 2-{8-[(4-fluorophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl}benzoate
Catalog ID
STL233499
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)F)N=Cc2c1cccc2
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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 C28H20FN3O5 MW 497.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN3O5/c1-37-28(36)19-8-4-5-9-20(19)31-26(34)21-22(27(31)35)24(25(33)15-10-12-17(29)13-11-15)32-23(21)18-7-3-2-6-16(18)14-30-32/h2-14,21-24H,1H3InChIKey
YHRPKXPTCOFEPC-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)F
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)c2ccc(cc2)F)N=Cc2c1cccc2
InChI=1SC28H20FN3O5c13728(36)19845920(19)3126(34)2122(27(31)35)24(25(33)15101217(29)131115)3223(21)18732616(18)143032h2142124H1H3
methyl2((8R8aS11aR)8(4fluorobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)benzoate
methyl2(8((4fluorophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)benzoate
MFCD24858367
ZINC000002329108
ZINC000247867563
Check stock
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Check stock on Vitas-MAvailable files
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