Vitas-M small molecule compound
(3a'S,6a'R)-5-bromo-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
STK588230
SMILES CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCCC)C(=O)Nc1c2cc(Br)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 C20H24BrN3O3S MW 466.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrN3O3S/c1-3-4-8-24-17(25)15-14(7-9-28-2)23-20(16(15)18(24)26)12-10-11(21)5-6-13(12)22-19(20)27/h5-6,10,14-16,23H,3-4,7-9H2,1-2H3,(H,22,27)/t14?,15-,16+,20?/m1/s1InChIKey
YUKOQZBTSJQSDD-SIRSKZSMSA-NSynonyms
1014022-70-8(3aR6aS)5bromo5butyl1(2methylsulfanylethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5bromo5butyl3(2(methylsulfanyl)ethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5bromo5butyl3(2(methylthio)ethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)Br)NC3=O)CCSC
CSCCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCCC)C(=O)Nc1c2cc(Br)cc1
Registry IDs
MFCD06790393ZINC000016024629
ZINC000020566376
Check stock
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Check stock on Vitas-MAvailable files
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