Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-10-[(4-chlorophenyl)carbonyl]-8-[2-(trifluoromethyl)phenyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK551815
SMILES Clc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1C(F)(F)F)C=Cc1c2cccc1

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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 C28H18ClF3N2O3 MW 522.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18ClF3N2O3/c29-17-12-9-16(10-13-17)25(35)24-23-22(21-14-11-15-5-1-3-7-19(15)33(21)24)26(36)34(27(23)37)20-8-4-2-6-18(20)28(30,31)32/h1-14,21-24H/t21-,22-,23-,24+/m0/s1
InChIKey
VHOIQIUKCWFCNE-NEWJYFPISA-N
Synonyms
1014102-60-3
(6aS6bR9aS10R)10((4chlorophenyl)carbonyl)8(2(trifluoromethyl)phenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(4chlorobenzoyl)8(2(trifluoromethyl)phenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014102603
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F)C(=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C(=O)(C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1ccccc1C(F)(F)F)C=Cc1c2cccc1
InChI=1SC28H18ClF3N2O3c291712916(101317)25(35)242322(21141115513719(15)33(21)24)26(36)34(27(23)37)20842618(20)28(3031)32h1142124Ht21222324+m0s1
MFCD18242605
ZINC000100965841
ZINC100965841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.