Vitas-M small molecule compound
(4bR,7aS,8R)-6-(1,3-benzodioxol-5-yl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK549502
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2
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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 C24H19N3O6 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O6/c1-31-15-7-4-13(5-8-15)22(28)21-20-19(16-3-2-10-25-27(16)21)23(29)26(24(20)30)14-6-9-17-18(11-14)33-12-32-17/h2-11,16,19-21H,12H2,1H3/t16?,19-,20-,21+/m0/s1InChIKey
XEMYGZGGKMSRJY-GSPFLADASA-NSynonyms
1014060-26-4(3aS4R9bR)2(13benzodioxol5yl)4(4methoxybenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(13benzodioxol5yl)8((4methoxyphenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)6(benzo(d)(13)dioxol5yl)8(4methoxybenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014060264
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC6=C(C=C5)OCO6
COc1ccc(cc1)C(=O)(C@@H)1N2N=CC=CC2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC24H19N3O6c131157413(5815)22(28)212019(1632102527(16)21)23(29)26(24(20)30)14691718(1114)33123217h211161921H12H21H3t16?192021+m0s1
MFCD18242469
ZINC000009075863
ZINC000018120804
Check stock
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Check stock on Vitas-MAvailable files
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