Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(4-methoxybenzyl)-6,7-dimethyl-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
STL530532
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1ccc(c2C)C
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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 C26H27N3O6 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O6/c1-13-4-9-17-22(14(13)2)27-25(34)26(17)21-20(18(28-26)10-11-19(30)31)23(32)29(24(21)33)12-15-5-7-16(35-3)8-6-15/h4-9,18,20-21,28H,10-12H2,1-3H3,(H,27,34)(H,30,31)/t18?,20-,21+,26?/m1/s1InChIKey
WJKVOLAHPVLOCG-FOXWCKEESA-NSynonyms
956824-31-016402725
3((3~(a)~(R)6~(a)~(S))5((4methoxyphenyl)methyl)67dimethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5(4methoxybenzyl)67dimethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(4methoxybenzyl)67dimethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956824310
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1ccc(c2C)C
InChI=1SC26H27N3O6c113491722(14(13)2)2725(34)26(17)2120(18(2826)101119(30)31)23(32)29(24(21)33)12155716(353)8615h4918202128H1012H213H3(H2734)(H3031)t18?2021+26?m1s1
MFCD06494255
ZINC000002130891
ZINC000002130894
Check stock
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Check stock on Vitas-MAvailable files
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