Vitas-M small molecule compound

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

Catalog ID
STK568540
SMILES Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([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/c34-22-14-9-20(10-15-22)30(38)28-29(31(39)21-11-16-23(17-12-21)37(41)42)36-26-8-4-1-5-19(26)13-18-27(36)33(28)24-6-2-3-7-25(24)35-32(33)40/h1-18,27-29H,(H,35,40)/t27-,28+,29+,33-/m1/s1
InChIKey
IODFOBPZJQDETA-UUQNIDNHSA-N
Synonyms

(1S2S3R3aR)2((4fluorophenyl)carbonyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(4fluorobenzoyl)1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2(4fluorobenzoyl)1(4nitrobenzoyl)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=C(C=C7)(N+)(=O)(O)
Fc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
InChI=1SC33H22FN3O5c342214920(101522)30(38)2829(31(39)21111623(171221)37(41)42)3626841519(26)131827(36)33(28)24623725(24)3532(33)40h1182729H(H3540)t2728+29+33m1s1
MFCD18245231
ZINC000102552807
ZINC102552807

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Available files

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