Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(2,4-dichlorophenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Catalog ID
STK556668
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)Nc1ccccc1
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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 C22H16Cl2N4O3 MW 455.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N4O3/c23-12-8-9-15(14(24)11-12)27-21(30)17-16-7-4-10-25-28(16)19(18(17)22(27)31)20(29)26-13-5-2-1-3-6-13/h1-11,16-19H,(H,26,29)/t16-,17-,18-,19+/m1/s1InChIKey
HSNXZAOXEUSWDX-MKXGPGLRSA-NSynonyms
1013792-62-5(3aR4S9aR9bS)2(24dichlorophenyl)13dioxoNphenyl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)6(24dichlorophenyl)57dioxoNphenyl4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
1013792625
C1=CC=C(C=C1)NC(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=C(C=C(C=C5)Cl)Cl
InChI=1SC22H16Cl2N4O3c23128915(14(24)1112)2721(30)171674102528(16)19(18(17)22(27)31)20(29)26135213613h1111619H(H2629)t16171819+m1s1
MFCD18242959
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)Nc1ccccc1
ZINC000013514440
ZINC13514440
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