Vitas-M small molecule compound

(3a'S,6a'R)-5'-butyl-3'-(3,4-dihydroxybenzyl)-5-fluoro-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
STK580817
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)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 C24H24FN3O5 MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24FN3O5/c1-2-3-8-28-21(31)19-16(9-12-4-7-17(29)18(30)10-12)27-24(20(19)22(28)32)14-11-13(25)5-6-15(14)26-23(24)33/h4-7,10-11,16,19-20,27,29-30H,2-3,8-9H2,1H3,(H,26,33)/t16?,19-,20+,24?/m1/s1
InChIKey
NZWAHZQUPJZOFJ-JYITYCQFSA-N
Synonyms
1013982-11-0
(3aR6aS)5butyl1((34dihydroxyphenyl)methyl)5fluorospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5butyl3(34dihydroxybenzyl)5fluoro33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5butyl3(34dihydroxybenzyl)5fluoro3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013982110
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CC(=C(C=C5)O)O
InChI=1SC24H24FN3O5c12382821(31)1916(9124717(29)18(30)1012)2724(20(19)22(28)32)141113(25)5615(14)2623(24)33h471011161920272930H2389H21H3(H2633)t16?1920+24?m1s1
MFCD06785132
ZINC000016021987
ZINC000020548543

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Available files

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