Vitas-M small molecule compound
(3a'R,6a'S)-5'-(2-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
STL566012
SMILES COc1ccccc1N1C(=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)16-21-25-26(29(38)34(28(25)37)23-14-8-9-15-24(23)39-3)31(33-21)19-11-5-7-13-22(19)35-27(36)18-10-4-6-12-20(18)32-30(31)35/h4-15,17,21,25-26,33H,16H2,1-3H3/t21?,25-,26+,31?/m0/s1InChIKey
DAKWRZLARHZNSH-YPYQSJKRSA-NSynonyms
1177759-54-4(3aR6aS)3isobutyl5(2methoxyphenyl)33adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(5H6aH)trione
(3aR6aS)5(2methoxyphenyl)3(2methylpropyl)3a6adihydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrole)4612(3H5H)trione
(3aS6aR)5(2methoxyphenyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)4612trione
1177759544
17571680
COc1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1(NC2CC(C)C)c2ccccc2n2c1nc1ccccc1c2=O
InChI=1SC31H28N4O4c117(2)16212526(29(38)34(28(25)37)2314891524(23)393)31(3321)1911571322(19)3527(36)1810461220(18)3230(31)35h4151721252633H16H213H3t21?2526+31?m0s1
ZINC000070712176
ZINC000070712181
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.