Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-7-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
STL533595
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1C

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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 C25H23N3O7 MW 477.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O7/c1-12-3-2-4-14-21(12)26-24(33)25(14)20-19(15(27-25)6-8-18(29)30)22(31)28(23(20)32)10-13-5-7-16-17(9-13)35-11-34-16/h2-5,7,9,15,19-20,27H,6,8,10-11H2,1H3,(H,26,33)(H,29,30)/t15?,19-,20+,25?/m1/s1
InChIKey
FDQTYFHYFQDKAU-WINOCRGISA-N
Synonyms
956929-15-0
16403387
3((3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5(13benzodioxol5ylmethyl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956929150
InChI=1SC25H23N3O7c1123241421(12)2624(33)25(14)2019(15(2725)6818(29)30)22(31)28(23(20)32)1013571617(913)35113416h257915192027H681011H21H3(H2633)(H2930)t15?1920+25?m1s1
MFCD06495705
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1C
ZINC000002138009
ZINC000002138014

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Available files

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