Vitas-M small molecule compound
methyl 2-[(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Catalog ID
STK557619
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F
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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 C24H18FN3O5 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O5/c1-33-24(32)15-5-2-3-6-16(15)27-22(30)18-17-7-4-12-26-28(17)20(19(18)23(27)31)21(29)13-8-10-14(25)11-9-13/h2-12,17-20H,1H3/t17-,18-,19-,20+/m1/s1InChIKey
FFADEPXGHFPNTL-WTGUMLROSA-NSynonyms
1013793-17-31013793173
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=CC=N1)C(=O)c1ccc(cc1)F
InChI=1SC24H18FN3O5c13324(32)15523616(15)2722(30)181774122628(17)20(19(18)23(27)31)21(29)1381014(25)11913h2121720H1H3t17181920+m1s1
methyl2((3aR4S9aR9bS)4(4fluorobenzoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)benzoate
methyl2((4aR4bS7aR8S)8((4fluorophenyl)carbonyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
methyl2((4aR4bS7aR8S)8(4fluorobenzoyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)benzoate
MFCD18243015
ZINC000009424798
ZINC09424798
ZINC9424798
Check stock
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