Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-nitrophenyl)carbonyl]-10-[3-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL049842
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3)c1ccc(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 C28H18F3N3O5 MW 533.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18F3N3O5/c29-28(30,31)17-5-3-6-19(14-17)33-26(36)21-22(27(33)37)24(25(35)16-8-10-18(11-9-16)34(38)39)32-13-12-15-4-1-2-7-20(15)23(21)32/h1-14,21-24H/t21-,22+,23?,24-/m0/s1InChIKey
ZKUCCZHPJRVQSP-UZLDWMDBSA-NSynonyms
1212490-11-3(8S8aR11aS)8((4nitrophenyl)carbonyl)10(3(trifluoromethyl)phenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4nitrobenzoyl)10(3(trifluoromethyl)phenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1212490113
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)N(C4=O)C6=CC=CC(=C6)C(F)(F)F
InChI=1SC28H18F3N3O5c2928(3031)1753619(1417)3326(36)2122(27(33)37)24(25(35)1681018(11916)34(38)39)32131215412720(15)23(21)32h1142124Ht2122+23?24m0s1
MFCD18249295
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3)c1ccc(cc1)(N+)(=O)(O)
ZINC000101249803
ZINC000101249806
Check stock
See real-time availability and sample size for STL049842 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.