Vitas-M small molecule compound
methyl 2-[(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Catalog ID
STK546344
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2
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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c1-37-29(36)20-8-4-5-9-21(20)32-27(34)22-23(28(32)35)25(26(33)17-10-12-18(30)13-11-17)31-15-14-16-6-2-3-7-19(16)24(22)31/h2-15,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
BAFBBVDTECOYKN-NPZNXQLHSA-NSynonyms
956926-65-1956926651
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2
InChI=1SC29H21ClN2O5c13729(36)20845921(20)3227(34)2223(28(32)35)25(26(33)17101218(30)131117)31151416623719(16)24(22)31h2152225H1H3t2223+24?25m0s1
methyl2((8S8aR11aS)8((4chlorophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
methyl2((8S8aR11aS)8(4chlorobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
MFCD18242283
ZINC000016037211
ZINC000036003732
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.