Vitas-M small molecule compound
3-[(3S,3'S,3a'R,6a'S)-2,4',6'-trioxo-5'-(tetrahydrofuran-2-ylmethyl)-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
STL531757
SMILES OC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1
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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 C21H23N3O6 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6/c25-15(26)8-7-14-16-17(19(28)24(18(16)27)10-11-4-3-9-30-11)21(23-14)12-5-1-2-6-13(12)22-20(21)29/h1-2,5-6,11,14,16-17,23H,3-4,7-10H2,(H,22,29)(H,25,26)/t11?,14-,16-,17+,21+/m0/s1InChIKey
GNLTUOHPRFHECA-IVQZSHPJSA-NSynonyms
956975-59-016406483
3((1~(S)3~(S)3~(a)~(S)6~(a)~(R))246trioxo5(oxolan2ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((1S3S3aR6aS)246trioxo5((tetrahydrofuran2yl)methyl)33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3S3S3aR6aS)246trioxo5(tetrahydrofuran2ylmethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
956975590
InChI=1SC21H23N3O6c2515(26)87141617(19(28)24(18(16)27)10114393011)21(2314)12512613(12)2220(21)29h12561114161723H34710H2(H2229)(H2526)t11?141617+21+m0s1
MFCD07637779
OC(=O)CC(C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1
ZINC000004090875
ZINC000100783261
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.