Vitas-M small molecule compound
4-[(4bR,7aS,8R)-8-[(4-methoxyphenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenyl acetate
Catalog ID
STK550972
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
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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)34-18-11-7-16(8-12-18)27-24(31)20-19-4-3-13-26-28(19)22(21(20)25(27)32)23(30)15-5-9-17(33-2)10-6-15/h3-13,19-22H,1-2H3/t19?,20-,21-,22+/m0/s1InChIKey
KCQZKVWIZXQNGT-GEIYVISESA-NSynonyms
958978-74-0(4((3aS4R9bR)4(4methoxybenzoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)phenyl)acetate
4((4bR7aS8R)8((4methoxyphenyl)carbonyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
4((4bR7aS8R)8(4methoxybenzoyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
958978740
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)C(=O)(C@@H)1N2N=CC=CC2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
InChI=1SC25H21N3O6c114(29)341811716(81218)2724(31)201943132628(19)22(21(20)25(27)32)23(30)155917(332)10615h3131922H12H3t19?202122+m0s1
MFCD18242551
ZINC000009428429
ZINC000016038592
Check stock
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Check stock on Vitas-MAvailable files
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