Vitas-M small molecule compound
(3a'S,6a'R)-5-bromo-5'-(3-methoxypropyl)-3'-(2-methylpropyl)-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
STK578459
SMILES COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)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 C21H26BrN3O4 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26BrN3O4/c1-11(2)9-15-16-17(19(27)25(18(16)26)7-4-8-29-3)21(24-15)13-10-12(22)5-6-14(13)23-20(21)28/h5-6,10-11,15-17,24H,4,7-9H2,1-3H3,(H,23,28)/t15?,16-,17+,21?/m1/s1InChIKey
YYJXDZGLZDJNEF-NHUHVJRWSA-NSynonyms
1014064-15-3(3aR6aS)5bromo5(3methoxypropyl)1(2methylpropyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5bromo3isobutyl5(3methoxypropyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5bromo5(3methoxypropyl)3(2methylpropyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014064153
CC(C)CC1C2C(C(=O)N(C2=O)CCCOC)C3(N1)C4=C(C=CC(=C4)Br)NC3=O
COCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Br)cc2
InChI=1SC21H26BrN3O4c111(2)9151617(19(27)25(18(16)26)748293)21(2415)131012(22)5614(13)2320(21)28h561011151724H479H213H3(H2328)t15?1617+21?m1s1
MFCD06788878
ZINC000009348144
ZINC000013573667
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.