Vitas-M small molecule compound

4-{[(8R,8aR,11aS,11bS)-10-(2,4-dichlorophenyl)-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
STK555232
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(cc1Cl)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 C29H20Cl2N2O5 MW 547.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl2N2O5/c1-15(34)38-19-9-6-17(7-10-19)27(35)26-24-23(25-20-5-3-2-4-16(20)12-13-32(25)26)28(36)33(29(24)37)22-11-8-18(30)14-21(22)31/h2-14,23-26H,1H3/t23-,24+,25+,26+/m0/s1
InChIKey
IOWPGPBPXZPSPL-BKKFENPESA-N
Synonyms
1014082-73-5
1014082735
4(((8R8aR11aS11bS)10(24dichlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(24dichlorophenyl)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=C(C=C(C=C6)Cl)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(cc1Cl)Cl)cccc3
InChI=1SC29H20Cl2N2O5c115(34)38199617(71019)27(35)262423(2520532416(20)121332(25)26)28(36)33(29(24)37)2211818(30)1421(22)31h2142326H1H3t2324+25+26+m0s1
MFCD18242851
ZINC000101035108
ZINC101035108

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.