Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(2,4-dimethoxyphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK550479
SMILES COc1cc(OC)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-31-15-10-11-16(18(13-15)32-2)26-23(29)19-17-9-6-12-25-27(17)21(20(19)24(26)30)22(28)14-7-4-3-5-8-14/h3-13,17,19-21H,1-2H3/t17-,19-,20-,21+/m1/s1InChIKey
VLJMBSPSMGOAFN-WLRLJWMZSA-NSynonyms
1013749-53-5(3aR4S9aR9bS)4benzoyl2(24dimethoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(24dimethoxyphenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8benzoyl6(24dimethoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013749535
COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5)OC
COc1cc(OC)ccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccccc2)N=CC=C1
InChI=1SC24H21N3O5c13115101116(18(1315)322)2623(29)191796122527(17)21(20(19)24(26)30)22(28)147435814h313171921H12H3t17192021+m1s1
MFCD18242525
ZINC000009427902
ZINC09427902
ZINC9427902
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.