Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-tert-butyl-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]propanamide

Catalog ID
STK575005
SMILES NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)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 C20H23FN4O4 MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O4/c1-19(2,3)25-16(27)14-12(6-7-13(22)26)24-20(15(14)17(25)28)10-8-9(21)4-5-11(10)23-18(20)29/h4-5,8,12,14-15,24H,6-7H2,1-3H3,(H2,22,26)(H,23,29)/t12?,14-,15+,20?/m1/s1
InChIKey
DDBVAVQYPXIRPL-YCXMQWEZSA-N
Synonyms
1212482-69-3
3((3aR6aS)5tertbutyl5fluoro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)5(tertbutyl)5fluoro246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5tertbutyl5fluoro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
CC(C)(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
NC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(F)cc1
Registry IDs
MFCD06793230
ZINC000016025041
ZINC000020566993

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Available files

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