Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-6-(2-methoxyphenyl)-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
STK555825
SMILES COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
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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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-14(29)34-16-11-9-15(10-12-16)23(30)22-21-20(18-7-5-13-26-28(18)22)24(31)27(25(21)32)17-6-3-4-8-19(17)33-2/h3-13,18,20-22H,1-2H3/t18-,20-,21-,22+/m0/s1InChIKey
XOTAUVVVGOFPMZ-JKLQHZFJSA-NSynonyms
958980-89-7(4((3aS4R9aS9bR)2(2methoxyphenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
4(((4aS4bR7aS8R)6(2methoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(2methoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
958980897
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC
COc1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
InChI=1SC25H21N3O6c114(29)341611915(101216)23(30)222120(1875132628(18)22)24(31)27(25(21)32)17634819(17)332h313182022H12H3t18202122+m0s1
MFCD18242892
ZINC000017952282
ZINC17952282
Check stock
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Check stock on Vitas-MAvailable files
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