Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(4-methylphenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Catalog ID
STK557402
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)Nc1ccccc1
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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 C23H20N4O3 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3/c1-14-9-11-16(12-10-14)26-22(29)18-17-8-5-13-24-27(17)20(19(18)23(26)30)21(28)25-15-6-3-2-4-7-15/h2-13,17-20H,1H3,(H,25,28)/t17-,18-,19-,20+/m1/s1InChIKey
NNKMCTUKLFSSFD-WTGUMLROSA-NSynonyms
958956-28-0(3aR4S9aR9bS)2(4methylphenyl)13dioxoNphenyl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)57dioxoNphenyl6(ptolyl)4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
(4aR4bS7aR8S)6(4methylphenyl)57dioxoNphenyl4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
958956280
CC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)NC5=CC=CC=C5
InChI=1SC23H20N4O3c11491116(121014)2622(29)181785132427(17)20(19(18)23(26)30)21(28)25156324715h2131720H1H3(H2528)t17181920+m1s1
MFCD18243000
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C)Nc1ccccc1
ZINC000005085002
ZINC05085002
ZINC5085002
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.