Vitas-M small molecule compound

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

Catalog ID
STK551584
SMILES CCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)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 C34H34N2O3 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O3/c1-5-10-21-15-17-23(18-16-21)30(37)28-29(31(38)33(2,3)4)36-26-14-9-6-11-22(26)19-20-27(36)34(28)24-12-7-8-13-25(24)35-32(34)39/h6-9,11-20,27-29H,5,10H2,1-4H3,(H,35,39)/t27-,28+,29+,34-/m1/s1
InChIKey
NIOSPUXLRSXJGY-GXIQWAOMSA-N
Synonyms
1177706-92-1
(1S2S3R3aR)1(22dimethylpropanoyl)2((4propylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1(22dimethylpropanoyl)2(4propylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)1pivaloyl2(4propylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177706921
CCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C(C)(C)C
CCCc1ccc(cc1)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC34H34N2O3c151021151723(181621)30(37)2829(31(38)33(23)4)362614961122(26)192027(36)34(28)2412781325(24)3532(34)39h6911202729H510H214H3(H3539)t2728+29+34m1s1
MFCD18242595
ZINC000100998132
ZINC100998132

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Available files

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