Vitas-M small molecule compound
2-[(3a'S,6a'R)-5-fluoro-2,4',6'-trioxo-5'-(2-phenylethyl)-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
STK572273
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)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 C23H21FN4O4 MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O4/c24-13-6-7-15-14(10-13)23(22(32)26-15)19-18(16(27-23)11-17(25)29)20(30)28(21(19)31)9-8-12-4-2-1-3-5-12/h1-7,10,16,18-19,27H,8-9,11H2,(H2,25,29)(H,26,32)/t16?,18-,19+,23?/m1/s1InChIKey
IVMQJJIHDGUVPT-PBHGZRDXSA-NSynonyms
1013982-35-81013982358
2((3aR6aS)5fluoro246trioxo5(2phenylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5fluoro246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5fluoro246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
C1=CC=C(C=C1)CCN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC(=O)N
InChI=1SC23H21FN4O4c2413671514(1013)23(22(32)2615)1918(16(2723)1117(25)29)20(30)28(21(19)31)98124213512h171016181927H8911H2(H22529)(H2632)t16?1819+23?m1s1
MFCD06777712
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(F)cc1
ZINC000016021003
ZINC000016021008
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.