Vitas-M small molecule compound

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

Catalog ID
STK569136
SMILES Cc1ccc(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 C34H25N3O5 MW 555.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25N3O5/c1-20-10-12-22(13-11-20)31(38)29-30(32(39)23-14-17-24(18-15-23)37(41)42)36-27-9-5-2-6-21(27)16-19-28(36)34(29)25-7-3-4-8-26(25)35-33(34)40/h2-19,28-30H,1H3,(H,35,40)/t28-,29+,30+,34-/m1/s1
InChIKey
UBLRONAYKDNJFH-WFPUBZAHSA-N
Synonyms

(1S2S3R3aR)2((4methylphenyl)carbonyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(4methylbenzoyl)1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2(4methylbenzoyl)1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
Cc1ccc(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=1SC34H25N3O5c120101222(131120)31(38)2930(32(39)23141724(181523)37(41)42)3627952621(27)161928(36)34(29)25734826(25)3533(34)40h2192830H1H3(H3540)t2829+30+34m1s1
MFCD18157940
ZINC000102555867
ZINC102555867

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Available files

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