Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-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
STK588008
SMILES CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl)C
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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 C20H22ClN3O5 MW 419.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O5/c1-3-9(2)24-17(27)14-12(7-8-13(25)26)23-20(15(14)18(24)28)10-5-4-6-11(21)16(10)22-19(20)29/h4-6,9,12,14-15,23H,3,7-8H2,1-2H3,(H,22,29)(H,25,26)/t9?,12?,14-,15+,20?/m1/s1InChIKey
ATFWJRIGFZWQIY-GYFAXZOTSA-NSynonyms
1214632-58-21214632582
3((3aR6aS)5butan2yl7chloro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5(butan2yl)7chloro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(secbutyl)7chloro246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
CCC(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCC(=O)O
CCC(N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl)C
InChI=1SC20H22ClN3O5c139(2)2417(27)1412(7813(25)26)2320(15(14)18(24)28)1054611(21)16(10)2219(20)29h46912141523H378H212H3(H2229)(H2526)t9?12?1415+20?m1s1
MFCD06787589
ZINC000005346279
ZINC000102856024
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.