Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK569357
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])cccc3
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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 C29H22BrN3O6 MW 588.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN3O6/c1-15-13-18(33(37)38)8-9-21(15)32-28(35)23-24(29(32)36)26(27(34)17-7-10-22(39-2)20(30)14-17)31-12-11-16-5-3-4-6-19(16)25(23)31/h3-14,23-26H,1-2H3/t23-,24+,25+,26-/m1/s1InChIKey
SKBFYJCKVOADAM-KEVKATSASA-NSynonyms
(8R8aS11aR11bR)8((3bromo4methoxyphenyl)carbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O))cccc3
InChI=1SC29H22BrN3O6c1151318(33(37)38)8921(15)3228(35)2324(29(32)36)26(27(34)1771022(392)20(30)1417)31121116534619(16)25(23)31h3142326H12H3t2324+25+26m1s1
MFCD18245286
ZINC000102557102
ZINC102557102
Check stock
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Check stock on Vitas-MAvailable files
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