Vitas-M small molecule compound

2-[(3a'S,6a'R)-5'-(4-butylphenyl)-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
STK591894
SMILES CCCCc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

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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 C25H25FN4O4 MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O4/c1-2-3-4-13-5-8-15(9-6-13)30-22(32)20-18(12-19(27)31)29-25(21(20)23(30)33)16-11-14(26)7-10-17(16)28-24(25)34/h5-11,18,20-21,29H,2-4,12H2,1H3,(H2,27,31)(H,28,34)/t18?,20-,21+,25?/m1/s1
InChIKey
PCOQEQSJMJJEIL-AQDYNUDPSA-N
Synonyms
958986-57-7
2((3aR6aS)5(4butylphenyl)5fluoro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5(4butylphenyl)5fluoro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5(4butylphenyl)5fluoro246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
958986577
CCCCC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC(=O)N
CCCCc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2
InChI=1SC25H25FN4O4c1234135815(9613)3022(32)2018(1219(27)31)2925(21(20)23(30)33)161114(26)71017(16)2824(25)34h51118202129H2412H21H3(H22731)(H2834)t18?2021+25?m1s1
MFCD06600018
ZINC000016010213
ZINC000020518236

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Available files

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