Vitas-M small molecule compound
(3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-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
STK592056
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(CC)C)C(=O)Nc1c2cc(F)cc1
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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 C20H24FN3O3S MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24FN3O3S/c1-4-10(2)24-17(25)15-14(7-8-28-3)23-20(16(15)18(24)26)12-9-11(21)5-6-13(12)22-19(20)27/h5-6,9-10,14-16,23H,4,7-8H2,1-3H3,(H,22,27)/t10?,14?,15-,16+,20?/m1/s1InChIKey
NVVBORDBMCXQLB-KTBVGEPESA-NSynonyms
1212456-34-2(3aR6aS)5butan2yl5fluoro1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(butan2yl)5fluoro3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(secbutyl)5fluoro3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212456342
CCC(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCSC
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C(CC)C)C(=O)Nc1c2cc(F)cc1
InChI=1SC20H24FN3O3Sc1410(2)2417(25)1514(78283)2320(16(15)18(24)26)12911(21)5613(12)2219(20)27h56910141623H478H213H3(H2227)t10?14?1516+20?m1s1
MFCD06787495
ZINC000013573233
ZINC000104168114
Check stock
See real-time availability and sample size for STK592056 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.