Vitas-M small molecule compound
(3R,3'S,3a'S,6a'R)-3'-[2-(methylsulfanyl)ethyl]-5'-(naphthalen-2-yl)-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
STL531040
SMILES CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)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 C26H23N3O3S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3S/c1-33-13-12-20-21-22(26(28-20)18-8-4-5-9-19(18)27-25(26)32)24(31)29(23(21)30)17-11-10-15-6-2-3-7-16(15)14-17/h2-11,14,20-22,28H,12-13H2,1H3,(H,27,32)/t20-,21+,22-,26-/m0/s1InChIKey
KWBXTLWKBVSEDS-MSZDEVHKSA-NSynonyms
956941-04-1(1~(S)3~(R)3~(a)~(R)6~(a)~(S))1(2methylsulfanylethyl)5naphthalen2ylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1R3S3aS6aR)3(2(methylthio)ethyl)5(naphthalen2yl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3R3S3aS6aR)3(2(methylsulfanyl)ethyl)5(naphthalen2yl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16403212
956941041
CSCC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1
InChI=1SC26H23N3O3Sc1331312202122(26(2820)18845919(18)2725(26)32)24(31)29(23(21)30)17111015623716(15)1417h21114202228H1213H21H3(H2732)t2021+2226m0s1
ZINC000016032857
ZINC16032857
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.