Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(4-butoxyphenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK540610
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)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 C31H28N2O4 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O4/c1-2-3-19-37-23-16-14-22(15-17-23)32-30(35)26-25-18-13-20-9-7-8-12-24(20)33(25)28(27(26)31(32)36)29(34)21-10-5-4-6-11-21/h4-18,25-28H,2-3,19H2,1H3/t25-,26-,27-,28+/m1/s1InChIKey
BKWVHPVCOJWRHQ-HPQIJTKRSA-NSynonyms
956982-35-7(6aR6bS9aR10S)10benzoyl8(4butoxyphenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(4butoxyphenyl)10(phenylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956982357
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=CC=C6
CCCCOc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)c1ccccc1
InChI=1SC31H28N2O4c123193723161422(151723)3230(35)26251813209781224(20)33(25)28(27(26)31(32)36)29(34)21105461121h4182528H2319H21H3t25262728+m1s1
MFCD18241842
ZINC000100821528
ZINC100821528
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.