Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-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
STK558716
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O
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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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c1-9(22)26-11-6-4-10(5-7-11)16(23)15-14-13(17(24)20-18(14)25)12-3-2-8-19-21(12)15/h2-8,12-15H,1H3,(H,20,24,25)/t12-,13-,14-,15+/m0/s1InChIKey
MNYXCNOYTXONHX-ZQDZILKHSA-NSynonyms
1212493-83-8(4((3aS4R9aS9bR)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1212493838
4(((4aS4bR7aS8R)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)NC3=O
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2N=CC=C(C@H)2(C@H)2(C@@H)1C(=O)NC2=O
InChI=1SC18H15N3O5c19(22)26116410(5711)16(23)151413(17(24)2018(14)25)123281921(12)15h281215H1H3(H202425)t12131415+m0s1
MFCD18243104
ZINC000018152823
ZINC18152823
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