Vitas-M small molecule compound
(3a'S,6a'R)-5'-cycloheptyl-5-fluoro-3'-(1-hydroxyethyl)-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
STK578229
SMILES CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(F)cc1)O
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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 C22H26FN3O4 MW 415.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FN3O4/c1-11(27)18-16-17(20(29)26(19(16)28)13-6-4-2-3-5-7-13)22(25-18)14-10-12(23)8-9-15(14)24-21(22)30/h8-11,13,16-18,25,27H,2-7H2,1H3,(H,24,30)/t11?,16-,17-,18?,22?/m0/s1InChIKey
OTFGQGNYDVZDKF-XHXAGIPBSA-NSynonyms
1214627-75-4(3aR6aS)5cycloheptyl5fluoro1(1hydroxyethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5cycloheptyl5fluoro3(1hydroxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5cycloheptyl5fluoro3(1hydroxyethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1214627754
CC(C1C2C(C(=O)N(C2=O)C3CCCCCC3)C4(N1)C5=C(C=CC(=C5)F)NC4=O)O
CC(C1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cc(F)cc1)O
InChI=1SC22H26FN3O4c111(27)181617(20(29)26(19(16)28)1364235713)22(2518)141012(23)8915(14)2421(22)30h8111316182527H27H21H3(H2430)t11?161718?22?m0s1
MFCD06775478
ZINC000016033941
ZINC000245327366
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.