Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-benzyl-7-methyl-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]propanoic acid

Catalog ID
STL531994
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1C

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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 C24H23N3O5 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5/c1-13-6-5-9-15-20(13)25-23(32)24(15)19-18(16(26-24)10-11-17(28)29)21(30)27(22(19)31)12-14-7-3-2-4-8-14/h2-9,16,18-19,26H,10-12H2,1H3,(H,25,32)(H,28,29)/t16?,18-,19+,24?/m1/s1
InChIKey
FKWBHSUGFQMCEU-VETPGCHDSA-N
Synonyms
956977-14-3
16402635
3((3~(a)~(R)6~(a)~(S))5benzyl7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5benzyl7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5benzyl7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956977143
InChI=1SC24H23N3O5c1136591520(13)2523(32)24(15)1918(16(2624)101117(28)29)21(30)27(22(19)31)12147324814h2916181926H1012H21H3(H2532)(H2829)t16?1819+24?m1s1
MFCD06494055
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1C
ZINC000002130496
ZINC000002130499

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Available files

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