Vitas-M small molecule compound
(3a'S,6a'R)-5'-butyl-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
STK571138
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCCC)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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-3-4-10-23-17(24)15-14(9-11-27-2)22-20(16(15)18(23)25)12-7-5-6-8-13(12)21-19(20)26/h5-8,14-16,22H,3-4,9-11H2,1-2H3,(H,21,26)/t14?,15-,16+,20?/m1/s1InChIKey
IUCKQEDWYZGDNH-SIRSKZSMSA-NSynonyms
1212477-31-0(3aR6aS)5butyl1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5butyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5butyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212477310
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=CC=CC=C4NC3=O)CCSC
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCCC)C(=O)Nc1c2cccc1
InChI=1SC20H25N3O3Sc134102317(24)1514(911272)2220(16(15)18(23)25)12756813(12)2119(20)26h58141622H34911H212H3(H2126)t14?1516+20?m1s1
MFCD06786255
ZINC000016022086
ZINC000020548786
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