Vitas-M small molecule compound
4-{[(8R,8aR,11aS,11bS)-10-(2-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenyl acetate
Catalog ID
STK555387
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3
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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/c1-16(33)37-19-12-10-18(11-13-19)27(34)26-24-23(25-20-7-3-2-6-17(20)14-15-31(25)26)28(35)32(29(24)36)22-9-5-4-8-21(22)30/h2-15,23-26H,1H3/t23-,24+,25+,26+/m0/s1InChIKey
FLGOUJZMAHKHJV-BKKFENPESA-NSynonyms
1014100-77-61014100776
4(((8R8aR11aS11bS)10(2chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(2chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6Cl
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1Cl)cccc3
InChI=1SC29H21ClN2O5c116(33)3719121018(111319)27(34)262423(2520732617(20)141531(25)26)28(35)32(29(24)36)22954821(22)30h2152326H1H3t2324+25+26+m0s1
MFCD18242861
ZINC000016033361
ZINC16033361
Check stock
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Check stock on Vitas-MAvailable files
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