Vitas-M small molecule compound

(4Z)-2-(2-bromophenyl)-4-(4-butoxy-3-iodo-5-methoxybenzylidene)-1,3-oxazol-5(4H)-one

Catalog ID
STK958689
SMILES CCCCOc1c(I)cc(cc1OC)/C=C/1\N=C(OC1=O)c1ccccc1Br

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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 C21H19BrINO4 MW 556.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrINO4/c1-3-4-9-27-19-16(23)10-13(12-18(19)26-2)11-17-21(25)28-20(24-17)14-7-5-6-8-15(14)22/h5-8,10-12H,3-4,9H2,1-2H3/b17-11-
InChIKey
QJDDGZWWZROVHF-BOPFTXTBSA-N
Synonyms
445284-16-2
(4Z)2(2bromophenyl)4((4butoxy3iodo5methoxyphenyl)methylidene)13oxazol5one
(4Z)2(2bromophenyl)4(4butoxy3iodo5methoxybenzylidene)13oxazol5(4H)one
2(2BROMOPHENYL)4(4BUTOXY3IODO5METHOXYBENZYLIDENE)13OXAZOL5(4H)ONE
445284162
CCCCOC1=C(C=C(C=C1I)C=C2C(=O)OC(=N2)C3=CC=CC=C3Br)OC
CCCCOc1c(I)cc(cc1OC)C=C1N=C(OC1=O)c1ccccc1Br
InChI=1SC21H19BrINO4c1349271916(23)1013(1218(19)262)111721(25)2820(2417)14756815(14)22h581012H349H212H3b1711
MFCD02605540
ZINC000002751588
ZINC02751588
ZINC2751588

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Available files

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