Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-[(3-methoxyphenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK595505
SMILES COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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 C34H25N3O6 MW 571.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25N3O6/c1-43-24-12-7-10-22(19-24)30(38)28-29(31(39)21-9-6-11-23(18-21)37(41)42)36-17-16-20-8-2-3-13-25(20)32(36)34(28)26-14-4-5-15-27(26)35-33(34)40/h2-19,28-29,32H,1H3,(H,35,40)/t28-,29-,32+,34+/m0/s1
InChIKey
UJXJYYUZGWGZMW-GGKJBDKJSA-N
Synonyms
1212117-24-2
(1S2S3S10bR)2(3methoxybenzoyl)3(3nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((3methoxyphenyl)carbonyl)3((3nitrophenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(3methoxybenzoyl)3(3nitrobenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212117242
COC1=CC=CC(=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
COc1cccc(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC34H25N3O6c143241271022(1924)30(38)2829(31(39)21961123(1821)37(41)42)361716208231325(20)32(36)34(28)2614451527(26)3533(34)40h219282932H1H3(H3540)t282932+34+m0s1
MFCD18158478
ZINC000101673751
ZINC101673751

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Available files

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