Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-6-(4-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
STK557479
SMILES COc1ccc(cc1)N1C(=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)34-18-9-5-15(6-10-18)23(30)22-21-20(19-4-3-13-26-28(19)22)24(31)27(25(21)32)16-7-11-17(33-2)12-8-16/h3-13,19-22H,1-2H3/t19-,20-,21-,22+/m0/s1InChIKey
LNYWTMYBPVNJNB-MYGLTJDJSA-NSynonyms
958975-36-5(4((3aS4R9aS9bR)2(4methoxyphenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
4(((4aS4bR7aS8R)6(4methoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(4methoxyphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
958975365
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1C(=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)34189515(61018)23(30)222120(1943132628(19)22)24(31)27(25(21)32)1671117(332)12816h3131922H12H3t19202122+m0s1
MFCD18243003
ZINC000017720382
ZINC17720382
Check stock
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Check stock on Vitas-MAvailable files
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