Vitas-M small molecule compound
(3a'R,6a'S)-5'-(4-methoxyphenyl)-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
STL566000
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(NC2CC(C)C)c2ccccc2n2c1nc1ccccc1c2=O
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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 C31H28N4O4 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O4/c1-17(2)16-23-25-26(29(38)34(28(25)37)18-12-14-19(39-3)15-13-18)31(33-23)21-9-5-7-11-24(21)35-27(36)20-8-4-6-10-22(20)32-30(31)35/h4-15,17,23,25-26,33H,16H2,1-3H3/t23?,25-,26+,31?/m0/s1InChIKey
AVFBKEMEDHVKBB-MXMWHYQXSA-NSynonyms
1177841-78-9(3aR6aS)3isobutyl5(4methoxyphenyl)33adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(5H6aH)trione
(3aR6aS)5(4methoxyphenyl)3(2methylpropyl)3a6adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(3H5H)trione
(3aS6aR)5(4methoxyphenyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)4612trione
1177841789
17572132
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1(NC2CC(C)C)c2ccccc2n2c1nc1ccccc1c2=O
InChI=1SC31H28N4O4c117(2)16232526(29(38)34(28(25)37)18121419(393)151318)31(3323)219571124(21)3527(36)208461022(20)3230(31)35h4151723252633H16H213H3t23?2526+31?m0s1
ZINC000070712270
ZINC000070712275
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.