Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL548716
SMILES COc1ccc(cc1Br)C(=O)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@H]2N1C=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 C22H17BrN2O4 MW 453.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O4/c1-29-15-7-6-12(10-14(15)23)20(26)19-17-16(21(27)24-22(17)28)18-13-5-3-2-4-11(13)8-9-25(18)19/h2-10,16-19H,1H3,(H,24,27,28)/t16-,17+,18+,19-/m1/s1InChIKey
BTRFMWIQOUHVAV-YDZRNGNQSA-NSynonyms
956156-05-1(1~(R)11~(R)12~(S)16~(R))11(3bromo4methoxybenzoyl)1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraene1315dione
(8R8aS11aR11bR)8((3bromo4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
16397878
956156051
COc1ccc(cc1Br)C(=O)(C@H)1(C@H)2C(=O)NC(=O)(C@H)2(C@H)2N1C=Cc1c2cccc1
InChI=1SC22H17BrN2O4c129157612(1014(15)23)20(26)191716(21(27)2422(17)28)1813532411(13)8925(18)19h2101619H1H3(H242728)t1617+18+19m1s1
MFCD03267757
ZINC000020113609
ZINC20113609
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