Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-N-(4-nitrophenyl)-7,9-dioxo-8-[3-(trifluoromethyl)phenyl]-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Catalog ID
STK551236
SMILES O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]
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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 C28H19F3N4O5 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19F3N4O5/c29-28(30,31)16-5-3-6-19(14-16)33-26(37)22-21-13-8-15-4-1-2-7-20(15)34(21)24(23(22)27(33)38)25(36)32-17-9-11-18(12-10-17)35(39)40/h1-14,21-24H,(H,32,36)/t21-,22-,23-,24+/m0/s1InChIKey
CYZDQXZHZIFUOJ-NEWJYFPISA-NSynonyms
1014079-76-5(6aS6bR9aS10R)N(4nitrophenyl)79dioxo8(3(trifluoromethyl)phenyl)6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014079765
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(F)(F)F)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC28H19F3N4O5c2928(3031)1653619(1416)3326(37)222113815412720(15)34(21)24(23(22)27(33)38)25(36)321791118(121017)35(39)40h1142124H(H3236)t21222324+m0s1
MFCD18242575
O=C((C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2cccc1)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000100984795
ZINC100984795
Check stock
See real-time availability and sample size for STK551236 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.