Vitas-M small molecule compound
(3a'S,6a'R)-6-chloro-3'-(hydroxymethyl)-7-methyl-5'-(2-phenylethyl)-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
STL532931
SMILES OCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
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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 C23H22ClN3O4 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O4/c1-12-15(24)8-7-14-19(12)25-22(31)23(14)18-17(16(11-28)26-23)20(29)27(21(18)30)10-9-13-5-3-2-4-6-13/h2-8,16-18,26,28H,9-11H2,1H3,(H,25,31)/t16?,17-,18+,23?/m1/s1InChIKey
LPHFXVHCLFLXOK-VQFNIZELSA-NSynonyms
957000-26-9(3~(a)~(R)6~(a)~(S))6chloro1(hydroxymethyl)7methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)6chloro3(hydroxymethyl)7methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)6chloro3(hydroxymethyl)7methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16404508
957000269
InChI=1SC23H22ClN3O4c11215(24)871419(12)2522(31)23(14)1817(16(1128)2623)20(29)27(21(18)30)109135324613h2816182628H911H21H3(H2531)t16?1718+23?m1s1
MFCD06767289
OCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl
ZINC000015968279
ZINC000015968284
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.