Vitas-M small molecule compound
3-[5'-benzyl-1-(2-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
STK680195
SMILES OC(=O)CCC1NC2(C3C1C(=O)N(C3=O)Cc1ccccc1)c1ccccc1N(C2=O)Cc1ccccc1F
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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 C30H26FN3O5 MW 527.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26FN3O5/c31-21-12-6-4-10-19(21)17-33-23-13-7-5-11-20(23)30(29(33)39)26-25(22(32-30)14-15-24(35)36)27(37)34(28(26)38)16-18-8-2-1-3-9-18/h1-13,22,25-26,32H,14-17H2,(H,35,36)InChIKey
HKAUWMMVQGDEAJ-UHFFFAOYSA-NSynonyms
3(5BENZYL1((2FLUOROPHENYL)METHYL)246TRIOXOSPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE33INDOLE)1YL)PROPANOICACID
3(5benzyl1(2fluorobenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
C1=CC=C(C=C1)CN2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F)CCC(=O)O
InChI=1SC30H26FN3O5c312112641019(21)17332313751120(23)30(29(33)39)2625(22(3230)141524(35)36)27(37)34(28(26)38)16188213918h11322252632H1417H2(H3536)
MFCD03766885
ZINC000029749036
ZINC000247372539
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