Vitas-M small molecule compound
ethyl 4-[(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Catalog ID
STK577249
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
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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 C29H24FN3O6 MW 529.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O6/c1-2-39-27(37)16-5-8-18(9-6-16)33-25(35)23-22(13-15-3-10-19(34)11-4-15)32-29(24(23)26(33)36)20-14-17(30)7-12-21(20)31-28(29)38/h3-12,14,22-24,32,34H,2,13H2,1H3,(H,31,38)/t22?,23-,24+,29?/m1/s1InChIKey
UREWEQHDQCCSQR-WRWAZOQGSA-NSynonyms
1212488-05-51212488055
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CC=C(C=C6)O
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
ethyl4((3aR6aS)5fluoro1((4hydroxyphenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)benzoate
ethyl4((3aS6aR)5fluoro3(4hydroxybenzyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aS6aR)5fluoro3(4hydroxybenzyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
InChI=1SC29H24FN3O6c123927(37)165818(9616)3325(35)2322(131531019(34)11415)3229(24(23)26(33)36)201417(30)71221(20)3128(29)38h3121422243234H213H21H3(H3138)t22?2324+29?m1s1
MFCD06602870
ZINC000101276561
ZINC000101276567
Check stock
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Check stock on Vitas-MAvailable files
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