Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL050889
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[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 C28H20BrN3O6 MW 574.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O6/c1-38-21-11-6-16(14-20(21)29)26(33)25-23-22(24-19-5-3-2-4-15(19)12-13-30(24)25)27(34)31(28(23)35)17-7-9-18(10-8-17)32(36)37/h2-14,22-25H,1H3/t22-,23+,24+,25-/m1/s1InChIKey
ZOPSTIZTHKWYBF-WSOYEBOPSA-NSynonyms
(8R8aS11aR11bR)8((3bromo4methoxyphenyl)carbonyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=C(C=C6)(N+)(=O)(O))Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))cccc3
InChI=1SC28H20BrN3O6c1382111616(1420(21)29)26(33)252322(2419532415(19)121330(24)25)27(34)31(28(23)35)177918(10817)32(36)37h2142225H1H3t2223+24+25m1s1
MFCD18249356
ZINC000102888149
ZINC102888149
Check stock
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Check stock on Vitas-MAvailable files
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