Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(2-methyl-5-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK549159
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1
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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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c1-13-9-10-15(27(31)32)12-17(13)25-22(29)18-16-8-5-11-24-26(16)20(19(18)23(25)30)21(28)14-6-3-2-4-7-14/h2-12,16,18-20H,1H3/t16-,18-,19-,20+/m1/s1InChIKey
ALIPBAZNQJSQLD-AFYVEPGGSA-NSynonyms
1014060-77-5(3aR4S9aR9bS)4benzoyl2(2methyl5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(2methyl5nitrophenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8benzoyl6(2methyl5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014060775
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5
InChI=1SC23H18N4O5c11391015(27(31)32)1217(13)2522(29)181685112426(16)20(19(18)23(25)30)21(28)146324714h212161820H1H3t16181920+m1s1
MFCD18242455
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))c1ccccc1
ZINC000009428317
ZINC09428317
ZINC9428317
Check stock
See real-time availability and sample size for STK549159 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.