Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-fluorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK547130
SMILES Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)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 C26H17ClFN3O3 MW 473.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClFN3O3/c27-16-7-5-14(6-8-16)24(32)23-21-20(22-19-4-2-1-3-15(19)13-29-31(22)23)25(33)30(26(21)34)18-11-9-17(28)10-12-18/h1-13,20-23H/t20-,21+,22?,23-/m0/s1InChIKey
BFYBFBJZRGSEEE-KORDQABASA-NSynonyms
1014059-52-9(8S8aR11aS)8((4chlorophenyl)carbonyl)10(4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014059529
C1=CC=C2C3C4C(C(N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)F
Fc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2
InChI=1SC26H17ClFN3O3c27167514(6816)24(32)232120(2219421315(19)132931(22)23)25(33)30(26(21)34)1811917(28)101218h1132023Ht2021+22?23m0s1
MFCD18242333
ZINC000009427971
ZINC000018062174
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