Vitas-M small molecule compound
ethyl (1'R,2'S,3R)-2'-[(4-fluorophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Catalog ID
STK542236
SMILES CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1
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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 C29H23FN2O4 MW 482.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O4/c1-2-36-27(34)25-24(26(33)18-11-14-19(30)15-12-18)29(20-8-4-5-9-21(20)31-28(29)35)23-16-13-17-7-3-6-10-22(17)32(23)25/h3-16,23-25H,2H2,1H3,(H,31,35)/t23?,24-,25+,29+/m0/s1InChIKey
SIQCUWZAXQJUQD-MCMVWHRFSA-NSynonyms
1212446-17-7(1R2S3R)ethyl2(4fluorobenzoyl)2oxo23adihydro1Hspiro(indoline33pyrrolo(12a)quinoline)1carboxylate
1212446177
CCOC(=O)(C@@H)1N2c3ccccc3C=CC2(C@)2((C@@H)1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1
CCOC(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C5=CC=CC=C5NC2=O)C(=O)C6=CC=C(C=C6)F
ethyl(1R2S3R)2((4fluorophenyl)carbonyl)2oxo1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinoline)1carboxylate
ethyl(1R2S3R)2(4fluorobenzoyl)2oxospiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)1carboxylate
InChI=1SC29H23FN2O4c123627(34)2524(26(33)18111419(30)151218)29(20845921(20)3128(29)35)231613177361022(17)32(23)25h3162325H2H21H3(H3135)t23?2425+29+m0s1
MFCD18241978
ZINC000009359150
ZINC000009359152
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.