Vitas-M small molecule compound
8-(1,3-benzodioxol-5-ylcarbonyl)-10-phenyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL342423
SMILES O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccccc1)cccc3)c1ccc2c(c1)OCO2
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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 C28H20N2O5 MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O5/c31-26(17-10-11-20-21(14-17)35-15-34-20)25-23-22(24-19-9-5-4-6-16(19)12-13-29(24)25)27(32)30(28(23)33)18-7-2-1-3-8-18/h1-14,22-25H,15H2InChIKey
XSISGUOQSYXYCZ-UHFFFAOYSA-NSynonyms
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(13benzodioxol5ylcarbonyl)10phenyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1OC2=C(O1)C=C(C=C2)C(=O)C3C4C(C5N3C=CC6=CC=CC=C56)C(=O)N(C4=O)C7=CC=CC=C7
InChI=1SC28H20N2O5c3126(1710112021(1417)35153420)252322(2419954616(19)121329(24)25)27(32)30(28(23)33)187213818h1142225H15H2
MFCD28032120
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1)cccc3)c1ccc2c(c1)OCO2
ZINC000015988945
ZINC000101361537
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