Vitas-M small molecule compound

(3a'R,6a'S)-5'-(2-fluorophenyl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrole]-4',6',12(3'H,5'H)-trione

Catalog ID
STL569838
SMILES CC(CC1NC2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1F)c1ccccc1n1c2nc2ccccc2c1=O)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 C30H25FN4O3 MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25FN4O3/c1-16(2)15-21-24-25(28(38)34(27(24)37)23-14-8-5-11-19(23)31)30(33-21)18-10-4-7-13-22(18)35-26(36)17-9-3-6-12-20(17)32-29(30)35/h3-14,16,21,24-25,33H,15H2,1-2H3/t21?,24-,25+,30?/m0/s1
InChIKey
SISIIDQFSYFRAF-IYJQVCBOSA-N
Synonyms
1177587-02-8
(3aR6aS)5(2fluorophenyl)3(2methylpropyl)3a6adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(3H5H)trione
(3aR6aS)5(2fluorophenyl)3isobutyl33adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(5H6aH)trione
(3aS6aR)5(2fluorophenyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)4612trione
1177587028
17596498
CC(CC1NC2((C@@H)3(C@H)1C(=O)N(C3=O)c1ccccc1F)c1ccccc1n1c2nc2ccccc2c1=O)C
InChI=1SC30H25FN4O3c116(2)15212425(28(38)34(27(24)37)2314851119(23)31)30(3321)1810471322(18)3526(36)179361220(17)3229(30)35h3141621242533H15H212H3t21?2425+30?m0s1
ZINC000013690469
ZINC000013690472

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Available files

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