Vitas-M small molecule compound
3-[(3a'S,6a'R)-5-methyl-2,4',6'-trioxo-5'-(2-phenylethyl)-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
STL533499
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-14-7-8-17-16(13-14)25(24(33)26-17)21-20(18(27-25)9-10-19(29)30)22(31)28(23(21)32)12-11-15-5-3-2-4-6-15/h2-8,13,18,20-21,27H,9-12H2,1H3,(H,26,33)(H,29,30)/t18?,20-,21+,25?/m1/s1InChIKey
BMRYPTQIJUYKGS-AQDYNUDPSA-NSynonyms
956947-80-116404271
3((3~(a)~(R)6~(a)~(S))5methyl246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5methyl246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5methyl246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956947801
InChI=1SC25H25N3O5c114781716(1314)25(24(33)2617)2120(18(2725)91019(29)30)22(31)28(23(21)32)1211155324615h281318202127H912H21H3(H2633)(H2930)t18?2021+25?m1s1
MFCD06766635
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1
ZINC000008790436
ZINC000008790439
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.