Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-cycloheptyl-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
STL530004
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cccc1
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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 C23H27N3O5 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5/c27-17(28)12-11-16-18-19(21(30)26(20(18)29)13-7-3-1-2-4-8-13)23(25-16)14-9-5-6-10-15(14)24-22(23)31/h5-6,9-10,13,16,18-19,25H,1-4,7-8,11-12H2,(H,24,31)(H,27,28)/t16?,18-,19+,23?/m1/s1InChIKey
OECOESKZBWEZIY-PBHGZRDXSA-NSynonyms
957032-60-916402622
3((3~(a)~(R)6~(a)~(S))5cycloheptyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5cycloheptyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5cycloheptyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
957032609
InChI=1SC23H27N3O5c2717(28)1211161819(21(30)26(20(18)29)1373124813)23(2516)149561015(14)2422(23)31h569101316181925H14781112H2(H2431)(H2728)t16?1819+23?m1s1
MFCD06494029
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cccc1
ZINC000002130453
ZINC000002130456
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.