Vitas-M small molecule compound
3-[(3R,3'S,3a'S,6a'R)-5'-(4-methylphenyl)-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
STL532246
SMILES OC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c1-12-6-8-13(9-7-12)26-20(29)18-16(10-11-17(27)28)25-23(19(18)21(26)30)14-4-2-3-5-15(14)24-22(23)31/h2-9,16,18-19,25H,10-11H2,1H3,(H,24,31)(H,27,28)/t16-,18+,19-,23-/m0/s1InChIKey
WBDDUCMMDSSUBK-FAODYONGSA-NSynonyms
956929-37-616403456
3((1~(S)3~(R)3~(a)~(R)6~(a)~(S))5(4methylphenyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1R3S3aS6aR)246trioxo5(ptolyl)33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3R3S3aS6aR)5(4methylphenyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956929376
InChI=1SC23H21N3O5c1126813(9712)2620(29)1816(101117(27)28)2523(19(18)21(26)30)14423515(14)2422(23)31h2916181925H1011H21H3(H2431)(H2728)t1618+1923m0s1
OC(=O)CC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1
ZINC000012880298
ZINC12880298
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.