Vitas-M small molecule compound
(3a'S,6a'R)-5'-cycloheptyl-3'-(4-hydroxybenzyl)-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
STL530131
SMILES Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cccc1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c31-18-13-11-16(12-14-18)15-21-22-23(25(33)30(24(22)32)17-7-3-1-2-4-8-17)27(29-21)19-9-5-6-10-20(19)28-26(27)34/h5-6,9-14,17,21-23,29,31H,1-4,7-8,15H2,(H,28,34)/t21?,22-,23+,27?/m1/s1InChIKey
IAJSDOKKVFCKFT-FPAXGFGJSA-NSynonyms
956148-08-6(3~(a)~(R)6~(a)~(S))5cycloheptyl1((4hydroxyphenyl)methyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5cycloheptyl3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5cycloheptyl3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16403022
956148086
InChI=1SC27H29N3O4c3118131116(121418)15212223(25(33)30(24(22)32)1773124817)27(2921)199561020(19)2826(27)34h569141721232931H147815H2(H2834)t21?2223+27?m1s1
MFCD06494908
Oc1ccc(cc1)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCCC1)C(=O)Nc1c2cccc1
ZINC000015958215
ZINC000015958218
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.