Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK545756
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)[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/c28-17-7-5-16(6-8-17)25(32)24-22-21(23-20-4-2-1-3-15(20)13-14-29(23)24)26(33)30(27(22)34)18-9-11-19(12-10-18)31(35)36/h1-14,21-24H/t21-,22+,23?,24-/m0/s1InChIKey
YIGHDGQXVNRDNI-UZLDWMDBSA-NSynonyms
956814-03-2(8S8aR11aS)8((4chlorophenyl)carbonyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956814032
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc(cc1)C(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H18ClN3O5c28177516(6817)25(32)242221(2320421315(20)131429(23)24)26(33)30(27(22)34)1891119(121018)31(35)36h1142124Ht2122+23?24m0s1
MFCD18242236
ZINC000013564561
ZINC000016037238
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.