Vitas-M small molecule compound
(3a'S,6a'R)-5'-tert-butyl-3'-(4-hydroxybenzyl)-7-methyl-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
STK582158
SMILES Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1C
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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-13-6-5-7-16-20(13)26-23(32)25(16)19-18(21(30)28(22(19)31)24(2,3)4)17(27-25)12-14-8-10-15(29)11-9-14/h5-11,17-19,27,29H,12H2,1-4H3,(H,26,32)/t17?,18-,19+,25?/m1/s1InChIKey
NLLXPTRRSFTVMA-XEXBDKKRSA-NSynonyms
1013982-60-9(3aR6aS)5tertbutyl1((4hydroxyphenyl)methyl)7methylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(tertbutyl)3(4hydroxybenzyl)7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5tertbutyl3(4hydroxybenzyl)7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013982609
CC1=CC=CC2=C1NC(=O)C23C4C(C(N3)CC5=CC=C(C=C5)O)C(=O)N(C4=O)C(C)(C)C
InChI=1SC25H27N3O4c1136571620(13)2623(32)25(16)1918(21(30)28(22(19)31)24(23)4)17(2725)121481015(29)11914h51117192729H12H214H3(H2632)t17?1819+25?m1s1
MFCD06785392
Oc1ccc(cc1)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1C
ZINC000016022005
ZINC000016022008
Check stock
See real-time availability and sample size for STK582158 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.