Vitas-M small molecule compound

10-(4-acetylphenyl)-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide

Catalog ID
STL348451
SMILES COc1ccc(cc1)NC(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)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 C30H25N3O5 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5/c1-17(34)18-7-11-21(12-8-18)33-29(36)24-25(30(33)37)27(28(35)31-20-9-13-22(38-2)14-10-20)32-16-15-19-5-3-4-6-23(19)26(24)32/h3-16,24-27H,1-2H3,(H,31,35)
InChIKey
QITCBHSOEKLXAA-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(4acetylphenyl)N(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(4acetylphenyl)N(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)OC
COc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3
InChI=1SC30H25N3O5c117(34)1871121(12818)3329(36)2425(30(33)37)27(28(35)312091322(382)141020)32161519534623(19)26(24)32h3162427H12H3(H3135)
MFCD07200891
ZINC000009348298
ZINC000035844147

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Available files

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