Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK571646
SMILES C=CCOc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

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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 C34H32N2O4 MW 532.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O4/c1-5-20-40-26-17-11-8-14-23(26)29(37)27-28(31(38)33(2,3)4)36-19-18-21-12-6-7-13-22(21)30(36)34(27)24-15-9-10-16-25(24)35-32(34)39/h5-19,27-28,30H,1,20H2,2-4H3,(H,35,39)/t27-,28-,30+,34+/m0/s1
InChIKey
SWXMYIQSHYQROL-ZULBXXEESA-N
Synonyms
1177974-42-3
(1S2S3S10bR)2(2(allyloxy)benzoyl)3pivaloyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(22dimethylpropanoyl)2((2(prop2en1yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(22dimethylpropanoyl)2(2prop2enoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177974423
C=CCOc1ccccc1C(=O)(C@@H)1(C@H)(N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C
CC(C)(C)C(=O)C1C(C2(C3N1C=CC4=CC=CC=C34)C5=CC=CC=C5NC2=O)C(=O)C6=CC=CC=C6OCC=C
InChI=1SC34H32N2O4c15204026171181423(26)29(37)2728(31(38)33(23)4)3619182112671322(21)30(36)34(27)24159101625(24)3532(34)39h519272830H120H224H3(H3539)t272830+34+m0s1
MFCD18245418
ZINC000101341755
ZINC101341755

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Available files

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