Vitas-M small molecule compound

2-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1H-indene-1,3(2H)-dione

Catalog ID
STK168157
SMILES C#CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)c2c(C1=O)cccc2

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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 C20H13BrO4 MW 397.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrO4/c1-3-8-25-20-16(21)10-12(11-17(20)24-2)9-15-18(22)13-6-4-5-7-14(13)19(15)23/h1,4-7,9-11H,8H2,2H3
InChIKey
INBYRGKORNJURI-UHFFFAOYSA-N
Synonyms

2((3BROMO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)INDENE13DIONE
2((3BROMO5METHOXY4PROP2YNYLOXYPHENYL)METHYLENE)CYCLOPENTA(12A)BENZENE13DIONE
2(3BROMO5METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1HINDENE13(2H)DIONE
C#CCOc1c(Br)cc(cc1OC)C=C1C(=O)c2c(C1=O)cccc2
COC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C
InChI=1SC20H13BrO4c138252016(21)1012(1117(20)242)91518(22)13645714(13)19(15)23h147911H8H22H3
MFCD02615048
ZINC000002970817
ZINC02970817
ZINC2970817

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Available files

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