Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(4-fluorobenzyl)-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
STK585739
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)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 C23H20FN3O5 MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O5/c24-13-7-5-12(6-8-13)11-27-20(30)18-16(9-10-17(28)29)26-23(19(18)21(27)31)14-3-1-2-4-15(14)25-22(23)32/h1-8,16,18-19,26H,9-11H2,(H,25,32)(H,28,29)/t16?,18-,19+,23?/m1/s1InChIKey
ITLLBGBJIXZGKY-PBHGZRDXSA-NSynonyms
1014002-58-41014002584
3((3aR6aS)5((4fluorophenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5(4fluorobenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(4fluorobenzyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
C1=CC=C2C(=C1)C3(C4C(C(N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=C(C=C5)F)C(=O)N2
InChI=1SC23H20FN3O5c24137512(6813)112720(30)1816(91017(28)29)2623(19(18)21(27)31)14312415(14)2522(23)32h1816181926H911H2(H2532)(H2829)t16?1819+23?m1s1
MFCD06608073
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1
ZINC000002338681
ZINC000002338686
Check stock
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Check stock on Vitas-MAvailable files
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