Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK547321
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)[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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c1-15-14-19(32(36)37)10-11-21(15)31-27(34)22-23(28(31)35)25(26(33)17-6-8-18(29)9-7-17)30-13-12-16-4-2-3-5-20(16)24(22)30/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
KJJSEYOOWMMQIN-NPZNXQLHSA-NSynonyms
1014061-63-2(8S8aR11aS)8((4chlorophenyl)carbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014061632
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)(C@@H)1(C@H)2(C@@H)(C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC28H20ClN3O5c1151419(32(36)37)101121(15)3127(34)2223(28(31)35)25(26(33)176818(29)9717)30131216423520(16)24(22)30h2142225H1H3t2223+24?25m0s1
MFCD18242340
ZINC000016038115
ZINC000020131111
Check stock
See real-time availability and sample size for STK547321 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.