Vitas-M small molecule compound
3-[(3a'S,6a'R)-7-chloro-5'-(2-methoxyethyl)-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
STK591898
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl
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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 C19H20ClN3O6 MW 421.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O6/c1-29-8-7-23-16(26)13-11(5-6-12(24)25)22-19(14(13)17(23)27)9-3-2-4-10(20)15(9)21-18(19)28/h2-4,11,13-14,22H,5-8H2,1H3,(H,21,28)(H,24,25)/t11?,13-,14+,19?/m1/s1InChIKey
YAJRBPABJNXEOH-ARUQAQHTSA-NSynonyms
1014063-38-71014063387
3((3aR6aS)7chloro5(2methoxyethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)7chloro5(2methoxyethyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5(2methoxyethyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl
COCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCC(=O)O
InChI=1SC19H20ClN3O6c129872316(26)1311(5612(24)25)2219(14(13)17(23)27)932410(20)15(9)2118(19)28h2411131422H58H21H3(H2128)(H2425)t11?1314+19?m1s1
MFCD06788556
ZINC000009347980
ZINC000013573558
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.