Vitas-M small molecule compound
(3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(4-methoxyphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Catalog ID
STK547991
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)Br)OC)C=CC(=C1)C(=O)c1ccccc1
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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 C32H25BrN2O6 MW 613.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25BrN2O6/c1-40-22-11-9-21(10-12-22)35-31(38)26-24-17-20(29(36)18-6-4-3-5-7-18)14-15-34(24)28(27(26)32(35)39)30(37)19-8-13-25(41-2)23(33)16-19/h3-17,24,26-28H,1-2H3/t24-,26-,27-,28+/m1/s1InChIKey
PSZJESILQDUURU-SATIQFTFSA-NSynonyms
(3aR4S9aR9bS)4((3bromo4methoxyphenyl)carbonyl)2(4methoxyphenyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(4methoxyphenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(4methoxyphenyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
COC1=CC=C(C=C1)N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC(=C(C=C5)OC)Br)C(=O)C6=CC=CC=C6
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(c(c2)Br)OC)C=CC(=C1)C(=O)c1ccccc1
Registry IDs
MFCD18242388ZINC000102449411
ZINC102449411
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.