Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-6-(2,4-dimethylphenyl)-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
STK556493
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-14-6-11-19(15(2)13-14)28-25(32)21-20-5-4-12-27-29(20)23(22(21)26(28)33)24(31)17-7-9-18(10-8-17)34-16(3)30/h4-13,20-23H,1-3H3/t20-,21-,22-,23+/m0/s1InChIKey
ACGDRRDSLODENT-CWBXHPNXSA-NSynonyms
958961-46-1(4((3aS4R9aS9bR)2(24dimethylphenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
4(((4aS4bR7aS8R)6(24dimethylphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(24dimethylphenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
958961461
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2N=CC=C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1C)C
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)OC(=O)C)C
InChI=1SC26H23N3O5c11461119(15(2)1314)2825(32)212054122729(20)23(22(21)26(28)33)24(31)177918(10817)3416(3)30h4132023H13H3t20212223+m0s1
MFCD18242947
ZINC000015975002
ZINC15975002
Check stock
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Check stock on Vitas-MAvailable files
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