Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-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]propanamide
Catalog ID
STK574329
SMILES CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)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 C20H23FN4O4 MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O4/c1-3-9(2)25-17(27)15-13(6-7-14(22)26)24-20(16(15)18(25)28)11-8-10(21)4-5-12(11)23-19(20)29/h4-5,8-9,13,15-16,24H,3,6-7H2,1-2H3,(H2,22,26)(H,23,29)/t9?,13?,15-,16+,20?/m1/s1InChIKey
LSIHBDZYFRHXHK-TUGUUBLQSA-NSynonyms
1212490-52-21212490522
3((3aR6aS)5butan2yl5fluoro246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)5(butan2yl)5fluoro246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5(secbutyl)5fluoro246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
CCC(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
CCC(N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)cc2)C
InChI=1SC20H23FN4O4c139(2)2517(27)1513(6714(22)26)2420(16(15)18(25)28)11810(21)4512(11)2319(20)29h458913151624H367H212H3(H22226)(H2329)t9?13?1516+20?m1s1
MFCD06794023
ZINC000005351065
ZINC000035375534
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.