Vitas-M small molecule compound

ethyl 4-[(3a'S,6a'R)-3'-(2-amino-2-oxoethyl)-5-fluoro-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate

Catalog ID
STK593145
SMILES CCOC(=O)c1ccc(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 C24H21FN4O6 MW 480.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O6/c1-2-35-22(33)11-3-6-13(7-4-11)29-20(31)18-16(10-17(26)30)28-24(19(18)21(29)32)14-9-12(25)5-8-15(14)27-23(24)34/h3-9,16,18-19,28H,2,10H2,1H3,(H2,26,30)(H,27,34)/t16?,18-,19+,24?/m1/s1
InChIKey
MDQTWHNXRPHRNC-VETPGCHDSA-N
Synonyms
1212431-38-3
1212431383
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC(=O)N
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2
ethyl4((3aR6aS)1(2amino2oxoethyl)5fluoro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)benzoate
ethyl4((3aS6aR)3(2amino2oxoethyl)5fluoro246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aS6aR)3(2amino2oxoethyl)5fluoro246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
InChI=1SC24H21FN4O6c123522(33)113613(7411)2920(31)1816(1017(26)30)2824(19(18)21(29)32)14912(25)5815(14)2723(24)34h3916181928H210H21H3(H22630)(H2734)t16?1819+24?m1s1
MFCD06608141
ZINC000013540613
ZINC000020533270

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Available files

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