Vitas-M small molecule compound
methyl 2-[(4bS,7aR,8S)-5,7-dioxo-8-(phenylcarbonyl)-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Catalog ID
STK546093
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2C=CC=N1)C(=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 C24H19N3O5 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5/c1-32-24(31)15-10-5-6-11-16(15)26-22(29)18-17-12-7-13-25-27(17)20(19(18)23(26)30)21(28)14-8-3-2-4-9-14/h2-13,17-20H,1H3/t17?,18-,19-,20+/m1/s1InChIKey
REPIEADIGXFCCK-YGFFAISXSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=CC=N1)C(=O)c1ccccc1
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2C=CC=N1)C(=O)c1ccccc1
InChI=1SC24H19N3O5c13224(31)1510561116(15)2622(29)1817127132527(17)20(19(18)23(26)30)21(28)148324914h2131720H1H3t17?181920+m1s1
methyl2((3aR4S9bS)4benzoyl13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)benzoate
methyl2((4aR4bS7aR8S)8benzoyl57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
methyl2((4bS7aR8S)57dioxo8(phenylcarbonyl)4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
MFCD18157886
ZINC000009436012
ZINC000035999868
Check stock
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Check stock on Vitas-MAvailable files
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