Vitas-M small molecule compound

methyl 2-[(6aS,6bR,9aS,10R)-10-{[4-(acetyloxy)phenyl]carbonyl}-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate

Catalog ID
STL527825
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)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 C31H24N2O7 MW 536.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O7/c1-17(34)40-20-14-11-19(12-15-20)28(35)27-26-25(24-16-13-18-7-3-5-9-22(18)32(24)27)29(36)33(30(26)37)23-10-6-4-8-21(23)31(38)39-2/h3-16,24-27H,1-2H3/t24-,25-,26-,27+/m0/s1
InChIKey
PUXCXRWWPBMBRJ-YIPNQBBMSA-N
Synonyms
956946-52-4
16398333
956946524
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C
InChI=1SC31H24N2O7c117(34)4020141119(121520)28(35)272625(24161318735922(18)32(24)27)29(36)33(30(26)37)231064821(23)31(38)392h3162427H12H3t24252627+m0s1
methyl2((10~(S)11~(R)15~(S)16~(R))16(4acetyloxybenzoyl)1214dioxo113diazatetracyclo(8600^(27)0^(1115))hexadeca2468tetraen13yl)benzoate
methyl2((6aS6bR9aS10R)10((4(acetyloxy)phenyl)carbonyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)benzoate
methyl2((6aS6bR9aS10R)10(4acetoxybenzoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)benzoate
MFCD03661690
ZINC000070673784
ZINC70673784

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Available files

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