Vitas-M small molecule compound
(3R,3'S,3a'S,6a'R)-5'-(2-bromophenyl)-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
STK588235
SMILES CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Br)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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-30-11-10-15-17-18(20(28)26(19(17)27)16-9-5-3-7-13(16)23)22(25-15)12-6-2-4-8-14(12)24-21(22)29/h2-9,15,17-18,25H,10-11H2,1H3,(H,24,29)/t15-,17+,18-,22-/m0/s1InChIKey
ZXBQTCDZLRMAKZ-PBWVOLNLSA-NSynonyms
1014001-45-6(1R3S3aS6aR)5(2bromophenyl)3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(1S3R3aR6aS)5(2bromophenyl)1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3R3S3aS6aR)5(2bromophenyl)3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014001456
CSCC(C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccccc1Br)C(=O)Nc1c2cccc1
CSCCC1C2C(C(=O)N(C2=O)C3=CC=CC=C3Br)C4(N1)C5=CC=CC=C5NC4=O
InChI=1SC22H20BrN3O3Sc1301110151718(20(28)26(19(17)27)16953713(16)23)22(2515)12624814(12)2421(22)29h2915171825H1011H21H3(H2429)t1517+1822m0s1
MFCD18245830
ZINC000016009749
ZINC16009749
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.