Vitas-M small molecule compound
3-{(3R,3'S,3a'S,6a'R)-5'-[4-(acetyloxy)phenyl]-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
STL533079
SMILES OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)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 C24H21N3O7 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7/c1-12(28)34-14-8-6-13(7-9-14)27-21(31)19-17(10-11-18(29)30)26-24(20(19)22(27)32)15-4-2-3-5-16(15)25-23(24)33/h2-9,17,19-20,26H,10-11H2,1H3,(H,25,33)(H,29,30)/t17-,19+,20-,24-/m0/s1InChIKey
KGPHPWITNOPDPW-GHCZAOPSSA-NSynonyms
956973-89-016403004
3((1~(S)3~(R)3~(a)~(R)6~(a)~(S))5(4acetyloxyphenyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1R3S3aS6aR)5(4acetoxyphenyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3R3S3aS6aR)5(4(acetyloxy)phenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956973890
InChI=1SC24H21N3O7c112(28)34148613(7914)2721(31)1917(101118(29)30)2624(20(19)22(27)32)15423516(15)2523(24)33h2917192026H1011H21H3(H2533)(H2930)t1719+2024m0s1
OC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2cccc1
ZINC000008789268
ZINC8789268
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.