Vitas-M small molecule compound
(3a'S,6a'R)-5-bromo-5'-butyl-3'-(4-hydroxybenzyl)-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
STK594622
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Br)cc2
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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 C24H24BrN3O4 MW 498.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN3O4/c1-2-3-10-28-21(30)19-18(11-13-4-7-15(29)8-5-13)27-24(20(19)22(28)31)16-12-14(25)6-9-17(16)26-23(24)32/h4-9,12,18-20,27,29H,2-3,10-11H2,1H3,(H,26,32)/t18?,19-,20+,24?/m1/s1InChIKey
KMFKLIKUWOSGJH-ZUKXXSLGSA-NSynonyms
1013754-92-1(3aR6aS)5bromo5butyl1((4hydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5bromo5butyl3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5bromo5butyl3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013754921
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Br)cc2
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)Br)NC3=O)CC5=CC=C(C=C5)O
InChI=1SC24H24BrN3O4c123102821(30)1918(11134715(29)8513)2724(20(19)22(28)31)161214(25)6917(16)2623(24)32h491218202729H231011H21H3(H2632)t18?1920+24?m1s1
MFCD06793875
ZINC000013575984
ZINC000020567096
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.