Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK541052
SMILES COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)F)C=Cc1c2cccc1
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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 C29H23FN2O5 MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O5/c1-36-22-14-8-17(15-23(22)37-2)27(33)26-25-24(21-13-7-16-5-3-4-6-20(16)32(21)26)28(34)31(29(25)35)19-11-9-18(30)10-12-19/h3-15,21,24-26H,1-2H3/t21-,24-,25-,26+/m1/s1InChIKey
SWHBLQZHJDUBCA-MYCYEZBNSA-NSynonyms
448192-18-5(6aR6bS9aR10S)10((34dimethoxyphenyl)carbonyl)8(4fluorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(34dimethoxybenzoyl)8(4fluorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
448192185
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC=C(C=C6)F)OC
COc1ccc(cc1OC)C(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)F)C=Cc1c2cccc1
InChI=1SC29H23FN2O5c1362214817(1523(22)372)27(33)262524(2113716534620(16)32(21)26)28(34)31(29(25)35)1911918(30)101219h315212426H12H3t21242526+m1s1
MFCD18241873
ZINC000035999954
ZINC35999954
Check stock
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Check stock on Vitas-MAvailable files
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