Vitas-M small molecule compound
4-{[(8R,8aR,11aS,11bS)-10-(4-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
STK555593
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)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)37-21-12-6-18(7-13-21)27(34)26-24-23(25-22-5-3-2-4-17(22)14-15-31(25)26)28(35)32(29(24)36)20-10-8-19(30)9-11-20/h2-15,23-26H,1H3/t23-,24+,25+,26+/m0/s1InChIKey
HFWHAWXDWWRPPA-BKKFENPESA-NSynonyms
1014101-54-21014101542
4(((8R8aR11aS11bS)10(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(4chlorophenyl)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=C(C=C6)Cl
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3
InChI=1SC29H21ClN2O5c116(33)372112618(71321)27(34)262423(2522532417(22)141531(25)26)28(35)32(29(24)36)2010819(30)91120h2152326H1H3t2324+25+26+m0s1
MFCD18242874
ZINC000015974741
ZINC15974741
Check stock
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Check stock on Vitas-MAvailable files
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