Vitas-M small molecule compound
(8S,8aR,11aS)-10-(2-chlorophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK545878
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3)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 C27H18ClN3O5 MW 499.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5/c28-19-10-3-4-11-20(19)30-26(33)21-22(27(30)34)24(25(32)16-7-5-8-17(14-16)31(35)36)29-13-12-15-6-1-2-9-18(15)23(21)29/h1-14,21-24H/t21-,22+,23?,24-/m0/s1InChIKey
CLPBGOJNBGQOBQ-UZLDWMDBSA-NSynonyms
1014060-87-7(8S8aR11aS)10(2chlorophenyl)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(2chlorophenyl)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014060877
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI=1SC27H18ClN3O5c281910341120(19)3026(33)2122(27(30)34)24(25(32)1675817(1416)31(35)36)29131215612918(15)23(21)29h1142124Ht2122+23?24m0s1
MFCD18242250
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1Cl)cccc3)c1cccc(c1)(N+)(=O)(O)
ZINC000016038086
ZINC000020130918
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.