Vitas-M small molecule compound

2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK789533
SMILES COc1cc2C(=CC(N3c2c(c1)C(C1C(=O)CC(CC1=O)(C)C)(C1=C(O)CC(CC1=O)(C)C)C3=O)(C)C)C

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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 C31H37NO6 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO6/c1-16-11-30(6,7)32-26-18(16)9-17(38-8)10-19(26)31(27(32)37,24-20(33)12-28(2,3)13-21(24)34)25-22(35)14-29(4,5)15-23(25)36/h9-11,24,35H,12-15H2,1-8H3
InChIKey
ZHJSRQGEVGEGCR-UHFFFAOYSA-N
Synonyms
774561-57-8
2(1(2hydroxy44dimethyl6oxocyclohex1en1yl)8methoxy446trimethyl2oxo12dihydro4Hpyrrolo(321ij)quinolin1yl)55dimethylcyclohexane13dione
2(1(2hydroxy44dimethyl6oxocyclohex1en1yl)8methoxy446trimethyl2oxo24dihydro1Hpyrrolo(321ij)quinolin1yl)55dimethylcyclohexane13dione
774561578
CC1=CC(N2C3=C(C=C(C=C13)OC)C(C2=O)(C4C(=O)CC(CC4=O)(C)C)C5=C(CC(CC5=O)(C)C)O)(C)C
InChI=1SC31H37NO6c1161130(67)322618(16)917(388)1019(26)31(27(32)372420(33)1228(23)1321(24)34)2522(35)1429(45)1523(25)36h9112435H1215H218H3
MFCD06612090
ZINC000002356786
ZINC000101311170

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Available files

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