Vitas-M small molecule compound
(3S,3'S,3a'R,6a'S)-3'-[(5-hydroxy-1H-indol-3-yl)methyl]-5'-phenyl-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
STL534674
SMILES Oc1ccc2c(c1)c(c[nH]2)C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)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 C28H22N4O4 MW 478.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4/c33-17-10-11-20-18(13-17)15(14-29-20)12-22-23-24(26(35)32(25(23)34)16-6-2-1-3-7-16)28(31-22)19-8-4-5-9-21(19)30-27(28)36/h1-11,13-14,22-24,29,31,33H,12H2,(H,30,36)/t22-,23-,24+,28+/m0/s1InChIKey
YWCNVCLVXXKACE-FLSMRUOLSA-NSynonyms
957024-77-0(1~(S)3~(S)3~(a)~(S)6~(a)~(R))1((5hydroxy1~(H)indol3yl)methyl)5phenylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1S3S3aR6aS)3((5hydroxy1Hindol3yl)methyl)5phenyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3S3S3aR6aS)3((5hydroxy1Hindol3yl)methyl)5phenyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16406679
957024770
InChI=1SC28H22N4O4c331710112018(1317)15(142920)12222324(26(35)32(25(23)34)166213716)28(3122)19845921(19)3027(28)36h11113142224293133H12H2(H3036)t222324+28+m0s1
MFCD08283170
Oc1ccc2c(c1)c(c(nH)2)C(C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)c1ccccc1)C(=O)Nc1c2cccc1
ZINC000020758902
ZINC20758902
Check stock
See real-time availability and sample size for STL534674 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.