Vitas-M small molecule compound
4-[(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]phenyl acetate
Catalog ID
STK550315
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)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)39-22-12-7-20(8-13-22)29(36)28-27-26(25-16-9-19-5-3-4-6-24(19)33(25)28)30(37)32(31(27)38)21-10-14-23(15-11-21)40-18(2)35/h3-16,25-28H,1-2H3/t25-,26-,27-,28+/m0/s1InChIKey
ZQYUWZJPEHNUIP-LAJGZZDBSA-NSynonyms
1013794-02-91013794029
4((6aS6bR9aS10R)10((4(acetyloxy)phenyl)carbonyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
4((6aS6bR9aS10R)10(4acetoxybenzoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC=C(C=C6)OC(=O)C
CC(=O)Oc1ccc(cc1)C(=O)(C@H)1(C@H)2C(=O)N(C(=O)(C@H)2(C@H)2N1c1ccccc1C=C2)c1ccc(cc1)OC(=O)C
InChI=1SC31H24N2O7c117(34)392212720(81322)29(36)282726(2516919534624(19)33(25)28)30(37)32(31(27)38)21101423(151121)4018(2)35h3162528H12H3t25262728+m0s1
MFCD18242512
ZINC000100980473
ZINC100980473
Check stock
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Check stock on Vitas-MAvailable files
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