Vitas-M small molecule compound
3-[5'-(4-fluorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Catalog ID
STL052372
SMILES NC(=O)CCC1NC2(C3C1C(=O)N(C3=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 C22H19FN4O4 MW 422.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O4/c23-11-5-7-12(8-6-11)27-19(29)17-15(9-10-16(24)28)26-22(18(17)20(27)30)13-3-1-2-4-14(13)25-21(22)31/h1-8,15,17-18,26H,9-10H2,(H2,24,28)(H,25,31)InChIKey
HJTRJQIINHODFY-UHFFFAOYSA-NSynonyms
3((1R3S3aS6aR)5(4fluorophenyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
3(5(4fluorophenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3(5(4FLUOROPHENYL)246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)1YL)PROPANAMIDE
C1=CC=C2C(=C1)C3(C4C(C(N3)CCC(=O)N)C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)N2
InChI=1SC22H19FN4O4c23115712(8611)2719(29)1715(91016(24)28)2622(18(17)20(27)30)13312414(13)2521(22)31h1815171826H910H2(H22428)(H2531)
MFCD18192704
NC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1
ZINC000016012584
ZINC000245246078
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.