Vitas-M small molecule compound

(3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STK580889
SMILES CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)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 C24H24FN3O4 MW 437.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24FN3O4/c1-3-12(2)28-21(30)19-18(10-13-4-7-15(29)8-5-13)27-24(20(19)22(28)31)16-11-14(25)6-9-17(16)26-23(24)32/h4-9,11-12,18-20,27,29H,3,10H2,1-2H3,(H,26,32)/t12?,18?,19-,20+,24?/m1/s1
InChIKey
AWQDYKVTPRVKJN-VYVOTDFKSA-N
Synonyms
1212444-51-3
(3aR6aS)5butan2yl5fluoro1((4hydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(butan2yl)5fluoro3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(secbutyl)5fluoro3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212444513
CCC(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CC=C(C=C5)O
CCC(N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2)C
InChI=1SC24H24FN3O4c1312(2)2821(30)1918(10134715(29)8513)2724(20(19)22(28)31)161114(25)6917(16)2623(24)32h49111218202729H310H212H3(H2632)t12?18?1920+24?m1s1
MFCD06788349
ZINC000009347914
ZINC000035375251

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Available files

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