Vitas-M small molecule compound
8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL236586
SMILES COc1ccc(cc1Br)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccccc1)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 C28H21BrN2O4 MW 529.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O4/c1-35-21-12-11-17(15-20(21)29)26(32)25-23-22(24-19-10-6-5-7-16(19)13-14-30(24)25)27(33)31(28(23)34)18-8-3-2-4-9-18/h2-15,22-25H,1H3InChIKey
QMTLYSXWZCMXNT-UHFFFAOYSA-NSynonyms
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8((3bromo4methoxyphenyl)carbonyl)10phenyl11a11bdihydro8Hpyrrolo(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=CC=C6)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccccc1)cccc3
InChI=1SC28H21BrN2O4c13521121117(1520(21)29)26(32)252322(24191065716(19)131430(24)25)27(33)31(28(23)34)188324918h2152225H1H3
MFCD24858652
ZINC000101343143
ZINC000248252532
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