Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-benzyl-7-chloro-5-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
STL532655
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl
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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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c1-12-9-14-20(15(25)10-12)26-23(33)24(14)19-18(16(27-24)7-8-17(29)30)21(31)28(22(19)32)11-13-5-3-2-4-6-13/h2-6,9-10,16,18-19,27H,7-8,11H2,1H3,(H,26,33)(H,29,30)/t16?,18-,19+,24?/m1/s1InChIKey
SJKJSERKFFLCHQ-VETPGCHDSA-NSynonyms
956823-12-416403088
3((3~(a)~(R)6~(a)~(S))5benzyl7chloro5methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5benzyl7chloro5methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5benzyl7chloro5methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956823124
InChI=1SC24H22ClN3O5c11291420(15(25)1012)2623(33)24(14)1918(16(2724)7817(29)30)21(31)28(22(19)32)11135324613h2691016181927H7811H21H3(H2633)(H2930)t16?1819+24?m1s1
MFCD06495072
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl
ZINC000002134635
ZINC000002134640
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.