Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-(4-bromophenyl)-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
STK556458
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)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 C22H17BrN4O3 MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O3/c23-13-8-10-15(11-9-13)26-21(29)17-16-7-4-12-24-27(16)19(18(17)22(26)30)20(28)25-14-5-2-1-3-6-14/h1-12,16-19H,(H,25,28)/t16-,17-,18-,19+/m1/s1InChIKey
HAKDGYSCKCZBOS-MKXGPGLRSA-NSynonyms
1013807-23-2(3aR4S9aR9bS)2(4bromophenyl)13dioxoNphenyl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)6(4bromophenyl)57dioxoNphenyl4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
1013807232
C1=CC=C(C=C1)NC(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)Br
InChI=1SC22H17BrN4O3c231381015(11913)2621(29)171674122427(16)19(18(17)22(26)30)20(28)25145213614h1121619H(H2528)t16171819+m1s1
MFCD18242943
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)Br)Nc1ccccc1
ZINC000009470344
ZINC09470344
ZINC9470344
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