Vitas-M small molecule compound
2-[(3a'S,6a'R)-5'-cyclohexyl-5-fluoro-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]acetamide
Catalog ID
STK586952
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cc(F)cc1
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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 C21H23FN4O4 MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN4O4/c22-10-6-7-13-12(8-10)21(20(30)24-13)17-16(14(25-21)9-15(23)27)18(28)26(19(17)29)11-4-2-1-3-5-11/h6-8,11,14,16-17,25H,1-5,9H2,(H2,23,27)(H,24,30)/t14?,16-,17+,21?/m1/s1InChIKey
FWQYJAVYYNVLII-ARMXKFQOSA-NSynonyms
1212481-78-11212481781
2((3aR6aS)5cyclohexyl5fluoro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5cyclohexyl5fluoro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5cyclohexyl5fluoro246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
C1CCC(CC1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC(=O)N
InChI=1SC21H23FN4O4c2210671312(810)21(20(30)2413)1716(14(2521)915(23)27)18(28)26(19(17)29)114213511h681114161725H159H2(H22327)(H2430)t14?1617+21?m1s1
MFCD06599457
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cc(F)cc1
ZINC000016010156
ZINC000020518092
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.