Vitas-M small molecule compound
10-(1,3-benzodioxol-5-yl)-9,11-dioxo-N-[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
STL233831
SMILES O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1cccc(c1)C(F)(F)F
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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 C29H20F3N3O5 MW 547.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20F3N3O5/c30-29(31,32)16-5-3-6-17(12-16)33-26(36)25-23-22(24-19-7-2-1-4-15(19)10-11-34(24)25)27(37)35(28(23)38)18-8-9-20-21(13-18)40-14-39-20/h1-13,22-25H,14H2,(H,33,36)InChIKey
HDSJDKPRQJNMIT-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)911dioxoN(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(13benzodioxol5yl)911dioxoN(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)NC7=CC=CC(=C7)C(F)(F)F
InChI=1SC29H20F3N3O5c3029(3132)1653617(1216)3326(36)252322(2419721415(19)101134(24)25)27(37)35(28(23)38)18892021(1318)40143920h1132225H14H2(H3336)
MFCD24858399
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1cccc(c1)C(F)(F)F
ZINC000101105354
ZINC000247708483
Check stock
See real-time availability and sample size for STL233831 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.