Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(butan-2-yl)-5-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
STK581821
SMILES CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(Cl)cc2)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)15-13(6-7-14(25)26)23-20(16(15)18(24)28)11-8-10(21)4-5-12(11)22-19(20)29/h4-5,8-9,13,15-16,23H,3,6-7H2,1-2H3,(H,22,29)(H,25,26)/t9?,13?,15-,16+,20?/m1/s1InChIKey
SUUCXYAJPPITLV-TUGUUBLQSA-NSynonyms
1212447-77-21212447772
3((3aR6aS)5butan2yl5chloro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5(butan2yl)5chloro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(secbutyl)5chloro246trioxo33a4566ahexahydro2Hspiro(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)Nc2c1cc(Cl)cc2)C
InChI=1SC20H22ClN3O5c139(2)2417(27)1513(6714(25)26)2320(16(15)18(24)28)11810(21)4512(11)2219(20)29h458913151623H367H212H3(H2229)(H2526)t9?13?1516+20?m1s1
MFCD06791174
ZINC000005348220
ZINC000016024744
Check stock
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Check stock on Vitas-MAvailable files
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