Vitas-M small molecule compound

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

Catalog ID
STK589927
SMILES COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

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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)31(39)29-28(30(38)21-9-6-11-23(18-21)37(41)42)34(26-14-4-5-15-27(26)35-33(34)40)32-25-13-3-2-8-20(25)16-17-36(29)32/h2-19,28-29,32H,1H3,(H,35,40)/t28-,29-,32+,34+/m0/s1
InChIKey
AFMJNMFGJOBXNT-GGKJBDKJSA-N
Synonyms
1212324-47-4
(1S2S3S10bR)3(3methoxybenzoyl)2(3nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3methoxyphenyl)carbonyl)2((3nitrophenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3methoxybenzoyl)2(3nitrobenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212324474
COC1=CC=CC(=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
COc1cccc(c1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)cccc3
InChI=1SC34H25N3O6c143241271022(1924)31(39)2928(30(38)21961123(1821)37(41)42)34(2614451527(26)3533(34)40)32251332820(25)161736(29)32h219282932H1H3(H3540)t282932+34+m0s1
MFCD18158369
ZINC000101672277
ZINC101672277

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Available files

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