Vitas-M small molecule compound
2-[(3a'S,6a'R)-5-fluoro-5'-(4-methoxybenzyl)-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]acetamide
Catalog ID
STK593691
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)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 C23H21FN4O5 MW 452.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O5/c1-33-13-5-2-11(3-6-13)10-28-20(30)18-16(9-17(25)29)27-23(19(18)21(28)31)14-8-12(24)4-7-15(14)26-22(23)32/h2-8,16,18-19,27H,9-10H2,1H3,(H2,25,29)(H,26,32)/t16?,18-,19+,23?/m1/s1InChIKey
FBQKBKMMUCIWNI-PBHGZRDXSA-NSynonyms
1014001-83-21014001832
2((3aR6aS)5fluoro5((4methoxyphenyl)methyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)5fluoro5(4methoxybenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5fluoro5(4methoxybenzyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
COC1=CC=C(C=C1)CN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC(=O)N
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2
InChI=1SC23H21FN4O5c133135211(3613)102820(30)1816(917(25)29)2723(19(18)21(28)31)14812(24)4715(14)2622(23)32h2816181927H910H21H3(H22529)(H2632)t16?1819+23?m1s1
MFCD06774536
ZINC000016020491
ZINC000020546433
Check stock
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