Vitas-M small molecule compound

(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide

Catalog ID
STK553964
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)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 C22H16ClN5O5 MW 465.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN5O5/c23-12-3-5-13(6-4-12)25-20(29)19-18-17(16-2-1-11-24-27(16)19)21(30)26(22(18)31)14-7-9-15(10-8-14)28(32)33/h1-11,16-19H,(H,25,29)/t16-,17-,18-,19+/m1/s1
InChIKey
OSXRWMXBRLBNAM-MKXGPGLRSA-N
Synonyms
1014082-03-1
(3aR4S9aR9bS)N(4chlorophenyl)2(4nitrophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)N(4chlorophenyl)6(4nitrophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
1014082031
C1=CC2C3C(C(N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H16ClN5O5c23123513(6412)2520(29)191817(1621112427(16)19)21(30)26(22(18)31)147915(10814)28(32)33h1111619H(H2529)t16171819+m1s1
MFCD18242760
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc(cc1)Cl
ZINC000009353088
ZINC09353088
ZINC9353088

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Available files

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