Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-1'-acetyl-2'-[(2,5-dimethoxyphenyl)carbonyl]-7'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL533583
SMILES COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)OC

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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 C31H28N2O5 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5/c1-17-9-12-24-19(15-17)10-14-26-31(22-7-5-6-8-23(22)32-30(31)36)27(28(18(2)34)33(24)26)29(35)21-16-20(37-3)11-13-25(21)38-4/h5-16,26-28H,1-4H3,(H,32,36)/t26-,27+,28-,31-/m1/s1
InChIKey
FEKAAKIJUOHKPI-KWYVSSJISA-N
Synonyms
1177932-44-3
(1~(S)2~(S)3~(R)3~(a)~(R))1acetyl2(25dimethoxybenzoyl)7methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1acetyl2((25dimethoxyphenyl)carbonyl)7methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl2(25dimethoxybenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177932443
16399319
COc1ccc(c(c1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)OC
InChI=1SC31H28N2O5c1179122419(1517)10142631(22756823(22)3230(31)36)27(28(18(2)34)33(24)26)29(35)211620(373)111325(21)384h5162628H14H3(H3236)t2627+2831m1s1
MFCD04142918
ZINC000070681053
ZINC70681053

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.