Vitas-M small molecule compound
(3a'S,6a'R)-5'-(2-chlorobenzyl)-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
STL531269
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)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 C23H22ClN3O3S MW 455.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O3S/c1-31-11-10-17-18-19(23(26-17)14-7-3-5-9-16(14)25-22(23)30)21(29)27(20(18)28)12-13-6-2-4-8-15(13)24/h2-9,17-19,26H,10-12H2,1H3,(H,25,30)/t17?,18-,19+,23?/m1/s1InChIKey
KHZCMGWSHOHJKU-FSTYKVKCSA-NSynonyms
956991-08-5(3~(a)~(R)6~(a)~(S))5((2chlorophenyl)methyl)1(2methylsulfanylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(2chlorobenzyl)3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(2chlorobenzyl)3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16403479
956991085
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1
InChI=1SC23H22ClN3O3Sc1311110171819(23(2617)14735916(14)2522(23)30)21(29)27(20(18)28)1213624815(13)24h29171926H1012H21H3(H2530)t17?1819+23?m1s1
MFCD06495881
ZINC000020611711
ZINC000020611717
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