Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2-methyl-5-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Catalog ID
STK554397
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-])Nc1ccc(cc1)Cl
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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 C23H18ClN5O5 MW 479.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O5/c1-12-4-9-15(29(33)34)11-17(12)27-22(31)18-16-3-2-10-25-28(16)20(19(18)23(27)32)21(30)26-14-7-5-13(24)6-8-14/h2-11,16,18-20H,1H3,(H,26,30)/t16-,18-,19-,20+/m1/s1InChIKey
UHZBPVFGRYHJPZ-AFYVEPGGSA-NSynonyms
1014102-27-2(3aR4S9aR9bS)N(4chlorophenyl)2(2methyl5nitrophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)N(4chlorophenyl)6(2methyl5nitrophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
1014102272
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC23H18ClN5O5c1124915(29(33)34)1117(12)2722(31)181632102528(16)20(19(18)23(27)32)21(30)26147513(24)6814h211161820H1H3(H2630)t16181920+m1s1
MFCD18242797
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))Nc1ccc(cc1)Cl
ZINC000009462524
ZINC09462524
ZINC9462524
Check stock
See real-time availability and sample size for STK554397 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.