Vitas-M small molecule compound
5'-(2-methyl-3-nitrophenyl)-3'-[2-(methylsulfanyl)ethyl]-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
STK569581
SMILES CSCCC1NC2(C3C1C(=O)N(C3=O)c1cccc(c1C)[N+](=O)[O-])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 C23H22N4O5S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5S/c1-12-16(8-5-9-17(12)27(31)32)26-20(28)18-15(10-11-33-2)25-23(19(18)21(26)29)13-6-3-4-7-14(13)24-22(23)30/h3-9,15,18-19,25H,10-11H2,1-2H3,(H,24,30)InChIKey
QBUOBADNLLMEEU-UHFFFAOYSA-NSynonyms
(1R3S3aS6aR)5(2methyl3nitrophenyl)3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
5(2METHYL3NITROPHENYL)1(2METHYLSULFANYLETHYL)SPIRO(123A6ATETRAHYDROPYRROLO(34C)PYRROLE331HINDOLE)246TRIONE
5(2methyl3nitrophenyl)3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
CC1=C(C=CC=C1(N+)(=O)(O))N2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CCSC
CSCC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1cccc(c1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
CSCCC1NC2(C3C1C(=O)N(C3=O)c1cccc(c1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
InChI=1SC23H22N4O5Sc11216(85917(12)27(31)32)2620(28)1815(1011332)2523(19(18)21(26)29)13634714(13)2422(23)30h3915181925H1011H212H3(H2430)
MFCD07210812
ZINC000016009611
ZINC000245327749
Check stock
See real-time availability and sample size for STK569581 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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