Vitas-M small molecule compound
(2'S,3R,3'S,7a'S)-5''-fluoro-2'-[(3-methoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Catalog ID
STK599732
SMILES COc1cccc(c1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(F)cc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
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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 C29H24FN3O4 MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O4/c1-37-18-7-4-6-16(14-18)24(34)25-28(19-8-2-3-9-21(19)31-26(28)35)23-10-5-13-33(23)29(25)20-15-17(30)11-12-22(20)32-27(29)36/h2-4,6-9,11-12,14-15,23,25H,5,10,13H2,1H3,(H,31,35)(H,32,36)/t23-,25-,28+,29+/m0/s1InChIKey
JGONVJFMIQKIPP-OMUKXZKBSA-NSynonyms
1176473-17-8(2S3R3S7aS)5fluoro2((3methoxyphenyl)carbonyl)11225677aoctahydro2Hdispiro(indole31pyrrolizine33indole)22dione
(2S3R3S7aS)5fluoro2((3methoxyphenyl)carbonyl)5677atetrahydrodispiro(indole31pyrrolizine33indole)22(1H1H)dione
1176473178
COC1=CC=CC(=C1)C(=O)C2C3(C4CCCN4C25C6=C(C=CC(=C6)F)NC5=O)C7=CC=CC=C7NC3=O
COc1cccc(c1)C(=O)(C@@H)1(C@)2(C(=O)Nc3c2cc(F)cc3)N2(C@H)((C@)31C(=O)Nc1c3cccc1)CCC2
InChI=1SC29H24FN3O4c1371874616(1418)24(34)2528(19823921(19)3126(28)35)231051333(23)29(25)201517(30)111222(20)3227(29)36h2469111214152325H51013H21H3(H3135)(H3236)t232528+29+m0s1
MFCD18246118
ZINC000035375607
ZINC35375607
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.