Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK546829
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2)[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 C28H20ClN3O6 MW 529.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O6/c1-38-21-11-10-18(32(36)37)14-20(21)31-27(34)22-23(28(31)35)25(26(33)16-6-8-17(29)9-7-16)30-13-12-15-4-2-3-5-19(15)24(22)30/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
ASQJKEAMNOQTQZ-NPZNXQLHSA-NSynonyms
956911-27-6(8S8aR11aS)8((4chlorophenyl)carbonyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956911276
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC28H20ClN3O6c13821111018(32(36)37)1420(21)3127(34)2223(28(31)35)25(26(33)166817(29)9716)30131215423519(15)24(22)30h2142225H1H3t2223+24?25m0s1
MFCD18242314
ZINC000100863605
ZINC000100863609
Check stock
See real-time availability and sample size for STK546829 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.