Vitas-M small molecule compound
N-(4-methoxyphenyl)-9,11-dioxo-10-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL346892
SMILES COc1ccc(cc1)NC(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)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 C29H22F3N3O4 MW 533.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22F3N3O4/c1-39-20-11-9-18(10-12-20)33-26(36)25-23-22(24-21-8-3-2-5-16(21)13-14-34(24)25)27(37)35(28(23)38)19-7-4-6-17(15-19)29(30,31)32/h2-15,22-25H,1H3,(H,33,36)InChIKey
DMXMMMPKGRBCHA-UHFFFAOYSA-NSynonyms
(8S8aR11aS)N(4methoxyphenyl)911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
COC1=CC=C(C=C1)NC(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC(=C6)C(F)(F)F
COc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3
InChI=1SC29H22F3N3O4c1392011918(101220)3326(36)252322(2421832516(21)131434(24)25)27(37)35(28(23)38)1974617(1519)29(3031)32h2152225H1H3(H3336)
MFCD07202230
N(4methoxyphenyl)911dioxo10(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
ZINC000101182685
ZINC000245309477
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.