Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(2-chloro-5-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK537349
SMILES O=C([C@@H]1[C@H]2[C@@H]([C@@H]3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1
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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 C26H17ClN4O5 MW 500.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClN4O5/c27-18-11-10-16(31(35)36)12-19(18)29-25(33)20-21(26(29)34)23(24(32)14-6-2-1-3-7-14)30-22(20)17-9-5-4-8-15(17)13-28-30/h1-13,20-23H/t20-,21+,22+,23-/m0/s1InChIKey
UHTBJYZILVMUJT-AFXVXQJMSA-NSynonyms
(8S8aR11aS11bS)10(2chloro5nitrophenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS11bS)8benzoyl10(2chloro5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=C(C=CC(=C6)(N+)(=O)(O))Cl
InChI=1SC26H17ClN4O5c2718111016(31(35)36)1219(18)2925(33)2021(26(29)34)23(24(32)146213714)3022(20)17954815(17)132830h1132023Ht2021+22+23m0s1
MFCD18241684
O=C((C@@H)1(C@H)2(C@@H)((C@@H)3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1cc(ccc1Cl)(N+)(=O)(O))c1ccccc1
ZINC000018213563
ZINC18213563
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.