Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)phenyl (6aR,6bS,9aR,10S)-8-(4-acetylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Catalog ID
STK605373
SMILES O=C([C@@H]1[C@H]2[C@@H]([C@@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)C(=O)C)Oc1cc(C)ccc1C(C)C
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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 C33H30N2O5 MW 534.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O5/c1-18(2)24-15-9-19(3)17-27(24)40-33(39)30-29-28(26-16-12-22-7-5-6-8-25(22)35(26)30)31(37)34(32(29)38)23-13-10-21(11-14-23)20(4)36/h5-18,26,28-30H,1-4H3/t26-,28-,29-,30+/m1/s1InChIKey
VXWNLYTWBODYEG-KLFPRNLRSA-NSynonyms
956926-37-7(6aR6bS9aR10S)2isopropyl5methylphenyl8(4acetylphenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
5methyl2(propan2yl)phenyl(6aR6bS9aR10S)8(4acetylphenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
956926377
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)C
InChI=1SC33H30N2O5c118(2)2415919(3)1727(24)4033(39)302928(26161222756825(22)35(26)30)31(37)34(32(29)38)23131021(111423)20(4)36h518262830H14H3t26282930+m1s1
MFCD18246191
O=C((C@@H)1(C@H)2(C@@H)((C@@H)3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)C(=O)C)Oc1cc(C)ccc1C(C)C
ZINC000100840800
ZINC100840800
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.