Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(3,5-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK557230
SMILES Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=CC=C1
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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 C20H19Cl2N3O3 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3O3/c1-20(2,3)17(26)16-15-14(13-5-4-6-23-25(13)16)18(27)24(19(15)28)12-8-10(21)7-11(22)9-12/h4-9,13-16H,1-3H3/t13-,14-,15-,16+/m1/s1InChIKey
PBCZZUVKQDBLBP-FPCVCCKLSA-NSynonyms
1013792-93-2(3aR4S9aR9bS)2(35dichlorophenyl)4(22dimethylpropanoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(35dichlorophenyl)8(22dimethylpropanoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)6(35dichlorophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013792932
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=CC(=CC(=C4)Cl)Cl
Clc1cc(Cl)cc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)C(C)(C)C)N=CC=C1
InChI=1SC20H19Cl2N3O3c120(23)17(26)161514(135462325(13)16)18(27)24(19(15)28)12810(21)711(22)912h491316H13H3t13141516+m1s1
MFCD18242989
ZINC000009330113
ZINC09330113
ZINC9330113
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.