Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-6-(3-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
Catalog ID
STK557251
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)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/c1-13(29)33-17-9-7-14(8-10-17)22(30)21-20-19(18-6-3-11-26-28(18)21)23(31)27(24(20)32)16-5-2-4-15(25)12-16/h2-12,18-21H,1H3/t18-,19-,20-,21+/m0/s1InChIKey
SXAWMYQDSKGJHW-XSDIEEQYSA-NSynonyms
1013792-94-3(4((3aS4R9aS9bR)2(3fluorophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1013792943
4(((4aS4bR7aS8R)6(3fluorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(3fluorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)F
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2N=CC=C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1cccc(c1)F
InChI=1SC24H18FN3O5c113(29)33179714(81017)22(30)212019(1863112628(18)21)23(31)27(24(20)32)1652415(25)1216h2121821H1H3t18192021+m0s1
MFCD18242990
ZINC000018155479
ZINC18155479
Check stock
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Check stock on Vitas-MAvailable files
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