Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(3-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
STK553563
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]
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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/c23-12-6-8-13(9-7-12)25-20(29)19-18-17(16-5-2-10-24-27(16)19)21(30)26(22(18)31)14-3-1-4-15(11-14)28(32)33/h1-11,16-19H,(H,25,29)/t16-,17-,18-,19+/m1/s1InChIKey
XTRWWDOKPMGOLL-MKXGPGLRSA-NSynonyms
1014080-14-8(3aR4S9aR9bS)N(4chlorophenyl)2(3nitrophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)N(4chlorophenyl)6(3nitrophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
1014080148
C1=CC2C3C(C(N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc(cc1)NC(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H16ClN5O5c23126813(9712)2520(29)191817(1652102427(16)19)21(30)26(22(18)31)1431415(1114)28(32)33h1111619H(H2529)t16171819+m1s1
MFCD18242726
ZINC000013749872
ZINC13749872
Check stock
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Check stock on Vitas-MAvailable files
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