Vitas-M small molecule compound
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]phenyl acetate
Catalog ID
STK572767
SMILES CC(=O)Oc1ccc(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 C28H22FN3O6 MW 515.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O6/c1-14(33)38-19-9-5-17(6-10-19)32-25(35)23-22(12-15-2-7-18(34)8-3-15)31-28(24(23)26(32)36)20-13-16(29)4-11-21(20)30-27(28)37/h2-11,13,22-24,31,34H,12H2,1H3,(H,30,37)/t22?,23-,24+,28?/m1/s1InChIKey
HBPDCJCYTCWGJM-WUIRLBBUSA-NSynonyms
1212436-20-8(4((3aR6aS)5fluoro1((4hydroxyphenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
1212436208
4((3aS6aR)5fluoro3(4hydroxybenzyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)5fluoro3(4hydroxybenzyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CC=C(C=C6)O
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
InChI=1SC28H22FN3O6c114(33)38199517(61019)3225(35)2322(12152718(34)8315)3128(24(23)26(32)36)201316(29)41121(20)3027(28)37h2111322243134H12H21H3(H3037)t22?2324+28?m1s1
MFCD06611728
ZINC000016033886
ZINC000020533443
Check stock
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Check stock on Vitas-MAvailable files
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