Vitas-M small molecule compound
8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(4-chlorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL048735
SMILES COc1ccc(cc1Br)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(cc1)Cl)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 C28H20BrClN2O4 MW 563.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrClN2O4/c1-36-21-11-6-16(14-20(21)29)26(33)25-23-22(24-19-5-3-2-4-15(19)12-13-31(24)25)27(34)32(28(23)35)18-9-7-17(30)8-10-18/h2-14,22-25H,1H3InChIKey
PEHDEPBSFRTDLY-UHFFFAOYSA-NSynonyms
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(4chlorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8((3bromo4methoxyphenyl)carbonyl)10(4chlorophenyl)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)Cl)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3
InChI=1SC28H20BrClN2O4c1362111616(1420(21)29)26(33)252322(2419532415(19)121331(24)25)27(34)32(28(23)35)189717(30)81018h2142225H1H3
MFCD05726133
ZINC000102884762
ZINC000245246830
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