Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-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
STL531978
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)CCC(=O)O)C(=O)N2

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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/c1-2-13-3-5-16-15(9-13)26(25(34)27-16)22-21(17(28-26)6-8-20(30)31)23(32)29(24(22)33)11-14-4-7-18-19(10-14)36-12-35-18/h3-5,7,9-10,17,21-22,28H,2,6,8,11-12H2,1H3,(H,27,34)(H,30,31)/t17?,21-,22+,26?/m1/s1
InChIKey
JQESAXREDTUXNX-UNOUYESJSA-N
Synonyms
957032-62-1
16405013
3((3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)5ethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5(13benzodioxol5ylmethyl)5ethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)5ethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
957032621
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)CCC(=O)O)C(=O)N2
InChI=1SC26H25N3O7c1213351615(913)26(25(34)2716)2221(17(2826)6820(30)31)23(32)29(24(22)33)1114471819(1014)36123518h35791017212228H2681112H21H3(H2734)(H3031)t17?2122+26?m1s1
MFCD06768760
ZINC000008791189
ZINC000012885970

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Available files

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