Vitas-M small molecule compound
8-[(4-fluorophenyl)carbonyl]-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STL241957
SMILES Cc1ccc(cc1)N1C(=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 C27H20FN3O3 MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O3/c1-15-6-12-19(13-7-15)30-26(33)21-22(27(30)34)24(25(32)16-8-10-18(28)11-9-16)31-23(21)20-5-3-2-4-17(20)14-29-31/h2-14,21-24H,1H3InChIKey
ICZYIQCAMFQCRZ-UHFFFAOYSA-NSynonyms
(8R8aS11aR)8(4fluorobenzoyl)10(ptolyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
8((4fluorophenyl)carbonyl)10(4methylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)F
Cc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)c2ccc(cc2)F)N=Cc2c1cccc2
InChI=1SC27H20FN3O3c11561219(13715)3026(33)2122(27(30)34)24(25(32)1681018(28)11916)3123(21)20532417(20)142931h2142124H1H3
MFCD07799371
ZINC000015996658
ZINC000239310115
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