Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-butyl-7-ethyl-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
STK587099
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2CC
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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 C22H27N3O5 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5/c1-3-5-11-25-19(28)16-14(9-10-15(26)27)24-22(17(16)20(25)29)13-8-6-7-12(4-2)18(13)23-21(22)30/h6-8,14,16-17,24H,3-5,9-11H2,1-2H3,(H,23,30)(H,26,27)/t14?,16-,17+,22?/m1/s1InChIKey
QUGPOYXXQXXDKD-IIFCYOTJSA-NSynonyms
1013755-34-41013755344
3((3aR6aS)5butyl7ethyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5butyl7ethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5butyl7ethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2CC
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C(=CC=C4)CC)NC3=O)CCC(=O)O
InChI=1SC22H27N3O5c135112519(28)1614(91015(26)27)2422(17(16)20(25)29)1386712(42)18(13)2321(22)30h6814161724H35911H212H3(H2330)(H2627)t14?1617+22?m1s1
MFCD06784584
ZINC000005345372
ZINC000020548403
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Check stock on Vitas-MAvailable files
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