Vitas-M small molecule compound
(4bS,7aR,8S)-6-(4-methoxyphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK545136
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)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 C23H19N3O4 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4/c1-30-16-11-9-15(10-12-16)25-22(28)18-17-8-5-13-24-26(17)20(19(18)23(25)29)21(27)14-6-3-2-4-7-14/h2-13,17-20H,1H3/t17?,18-,19-,20+/m1/s1InChIKey
JXHXEYNYNALUNC-YGFFAISXSA-NSynonyms
(3aR4S9bS)4benzoyl2(4methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8benzoyl6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bS7aR8S)6(4methoxyphenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccccc2)N=CC=C1
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccccc2)N=CC=C1
InChI=1SC23H19N3O4c1301611915(101216)2522(28)181785132426(17)20(19(18)23(25)29)21(27)146324714h2131720H1H3t17?181920+m1s1
MFCD18157882
ZINC000004856121
ZINC000035945785
Check stock
See real-time availability and sample size for STK545136 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.