Vitas-M small molecule compound
4-[(4aR,4bS,7aR,8S)-8-[(4-chlorophenyl)carbamoyl]-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
STK554456
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)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 C24H19ClN4O5 MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN4O5/c1-13(30)34-17-10-8-16(9-11-17)28-23(32)19-18-3-2-12-26-29(18)21(20(19)24(28)33)22(31)27-15-6-4-14(25)5-7-15/h2-12,18-21H,1H3,(H,27,31)/t18-,19-,20-,21+/m1/s1InChIKey
PPVSTSNUXGTFEH-NCYKPQTJSA-NSynonyms
1014103-87-7(4((3aR4S9aR9bS)4((4chlorophenyl)carbamoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)phenyl)acetate
1014103877
4((4aR4bS7aR8S)8((4chlorophenyl)carbamoyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)NC5=CC=C(C=C5)Cl
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)Nc2ccc(cc2)Cl)N=CC=C1
InChI=1SC24H19ClN4O5c113(30)341710816(91117)2823(32)191832122629(18)21(20(19)24(28)33)22(31)27156414(25)5715h2121821H1H3(H2731)t18192021+m1s1
MFCD18242802
ZINC000009462595
ZINC09462595
ZINC9462595
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.