Vitas-M small molecule compound

(1'R,2'S,3R)-2'-[(4-fluorophenyl)carbonyl]-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK544946
SMILES Fc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@]31C(=O)Nc1c3cccc1)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 C33H22FN3O5 MW 559.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22FN3O5/c34-22-15-12-20(13-16-22)30(38)28-29(31(39)21-7-5-8-23(18-21)37(41)42)36-26-11-4-1-6-19(26)14-17-27(36)33(28)24-9-2-3-10-25(24)35-32(33)40/h1-18,27-29H,(H,35,40)/t27?,28-,29+,33+/m0/s1
InChIKey
ALPBRAWMIUYVDR-GUKASPLSSA-N
Synonyms

(1R2S3R)2((4fluorophenyl)carbonyl)1((3nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1R2S3R)2(4fluorobenzoyl)1(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1R2S3R)2(4fluorobenzoyl)1(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
C1=CC=C2C(=C1)C=CC3N2C(C(C34C5=CC=CC=C5NC4=O)C(=O)C6=CC=C(C=C6)F)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
Fc1ccc(cc1)C(=O)(C@@H)1(C@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2C((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
InChI=1SC33H22FN3O5c3422151220(131622)30(38)2829(31(39)2175823(1821)37(41)42)36261141619(26)141727(36)33(28)249231025(24)3532(33)40h1182729H(H3540)t27?2829+33+m0s1
MFCD18242188
ZINC000102439945
ZINC000102439947

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Available files

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