Vitas-M small molecule compound
(3a'S,6a'R)-5-fluoro-3'-(1-hydroxyethyl)-5'-(2-phenylethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STK574620
SMILES Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C(O)C)C(=O)N2
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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 C23H22FN3O4 MW 423.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O4/c1-12(28)19-17-18(21(30)27(20(17)29)10-9-13-5-3-2-4-6-13)23(26-19)15-11-14(24)7-8-16(15)25-22(23)31/h2-8,11-12,17-19,26,28H,9-10H2,1H3,(H,25,31)/t12?,17-,18-,19?,23?/m0/s1InChIKey
WILWCVSJERCUGF-KLFHCSGLSA-NSynonyms
1212457-72-1(3aR6aS)5fluoro1(1hydroxyethyl)5(2phenylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5fluoro3(1hydroxyethyl)5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5fluoro3(1hydroxyethyl)5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212457721
CC(C1C2C(C(=O)N(C2=O)CCC3=CC=CC=C3)C4(N1)C5=C(C=CC(=C5)F)NC4=O)O
Fc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)CCc1ccccc1)C(O)C)C(=O)N2
InChI=1SC23H22FN3O4c112(28)191718(21(30)27(20(17)29)109135324613)23(2619)151114(24)7816(15)2522(23)31h28111217192628H910H21H3(H2531)t12?171819?23?m0s1
MFCD06773765
ZINC000016033924
ZINC000105348500
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.