Vitas-M small molecule compound
(1'S,3R,3'S,7a'S)-5''-fluoro-1'-(phenylcarbonyl)-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Catalog ID
STK579561
SMILES Fc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1
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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 C28H22FN3O3 MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O3/c29-17-12-13-21-19(15-17)28(26(35)31-21)27(18-9-4-5-10-20(18)30-25(27)34)23(22-11-6-14-32(22)28)24(33)16-7-2-1-3-8-16/h1-5,7-10,12-13,15,22-23H,6,11,14H2,(H,30,34)(H,31,35)/t22-,23-,27+,28+/m0/s1InChIKey
DDDYGRLTHABPSW-WLGONLEPSA-NSynonyms
1014042-68-2(1S3R3S7aS)1benzoyl5fluoro11225677aoctahydro1Hdispiro(indole32pyrrolizine33indole)22dione
(1S3R3S7aS)5fluoro1(phenylcarbonyl)5677atetrahydro1Hdispiro(indole32pyrrolizine33indole)22(1H1H)dione
1014042682
C1CC2C(C3(C4=CC=CC=C4NC3=O)C5(N2C1)C6=C(C=CC(=C6)F)NC5=O)C(=O)C7=CC=CC=C7
Fc1ccc2c(c1)(C@)1(C(=O)N2)N2CCC(C@H)2(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccccc1
InChI=1SC28H22FN3O3c291712132119(1517)28(26(35)3121)27(189451020(18)3025(27)34)23(221161432(22)28)24(33)167213816h157101213152223H61114H2(H3034)(H3135)t222327+28+m0s1
ZINC000057105531
ZINC57105531
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.