Vitas-M small molecule compound

4-{[(4aS,4bR,7aS,8R)-6-(2,4-dichlorophenyl)-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
STK555950
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(cc1Cl)Cl

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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 C24H17Cl2N3O5 MW 498.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Cl2N3O5/c1-12(30)34-15-7-4-13(5-8-15)22(31)21-20-19(18-3-2-10-27-29(18)21)23(32)28(24(20)33)17-9-6-14(25)11-16(17)26/h2-11,18-21H,1H3/t18-,19-,20-,21+/m0/s1
InChIKey
GQGNBPNPISRPSX-XSDIEEQYSA-N
Synonyms
1014103-77-5
(4((3aS4R9aS9bR)2(24dichlorophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1014103775
4(((4aS4bR7aS8R)6(24dichlorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(24dichlorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=C(C=C(C=C5)Cl)Cl
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(cc1Cl)Cl
InChI=1SC24H17Cl2N3O5c112(30)34157413(5815)22(31)212019(1832102729(18)21)23(32)28(24(20)33)179614(25)1116(17)26h2111821H1H3t18192021+m0s1
MFCD18242903
ZINC000017889296
ZINC17889296

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Available files

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