Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-[3-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK546737
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3
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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 C27H17ClF3N3O3 MW 523.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClF3N3O3/c28-17-10-8-14(9-11-17)24(35)23-21-20(22-19-7-2-1-4-15(19)13-32-34(22)23)25(36)33(26(21)37)18-6-3-5-16(12-18)27(29,30)31/h1-13,20-23H/t20-,21+,22?,23-/m0/s1InChIKey
LWDFCNCKDSEWST-KORDQABASA-NSynonyms
1014102-81-8(8S8aR11aS)8((4chlorophenyl)carbonyl)10(3(trifluoromethyl)phenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(3(trifluoromethyl)phenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014102818
C1=CC=C2C3C4C(C(N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(F)(F)F
Clc1ccc(cc1)C(=O)(C@H)1N2N=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3
InChI=1SC27H17ClF3N3O3c281710814(91117)24(35)232120(2219721415(19)133234(22)23)25(36)33(26(21)37)1863516(1218)27(2930)31h1132023Ht2021+22?23m0s1
MFCD18242307
ZINC000100892354
ZINC000100892355
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.