Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5,7-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
STL532577
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(C)cc1C
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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 C26H25N3O7 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O7/c1-12-7-13(2)22-15(8-12)26(25(34)27-22)21-20(16(28-26)4-6-19(30)31)23(32)29(24(21)33)10-14-3-5-17-18(9-14)36-11-35-17/h3,5,7-9,16,20-21,28H,4,6,10-11H2,1-2H3,(H,27,34)(H,30,31)/t16?,20-,21+,26?/m1/s1InChIKey
LERNXAHDJSRORW-USNAGLCPSA-NSynonyms
956935-75-416404426
3((3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)57dimethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5(13benzodioxol5ylmethyl)57dimethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)57dimethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956935754
InChI=1SC26H25N3O7c112713(2)2215(812)26(25(34)2722)2120(16(2826)4619(30)31)23(32)29(24(21)33)1014351718(914)36113517h357916202128H461011H212H3(H2734)(H3031)t16?2021+26?m1s1
MFCD06767051
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(C)cc1C
ZINC000008790597
ZINC000012883799
Check stock
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Check stock on Vitas-MAvailable files
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