Vitas-M small molecule compound
(4E)-4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Catalog ID
STL171352
SMILES COc1cc(/C=C\2/N=C(OC2=O)c2cccc3c2cccc3)cc(c1OCc1ccccc1C)Br
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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 C29H22BrNO4 MW 528.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrNO4/c1-18-8-3-4-10-21(18)17-34-27-24(30)14-19(16-26(27)33-2)15-25-29(32)35-28(31-25)23-13-7-11-20-9-5-6-12-22(20)23/h3-16H,17H2,1-2H3/b25-15+InChIKey
XDDGIDBAZBPHDC-MFKUBSTISA-NSynonyms
(4E)4((3BROMO5METHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)2NAPHTHALEN1YL13OXAZOL5ONE
(4E)4(3bromo5methoxy4((2methylbenzyl)oxy)benzylidene)2(naphthalen1yl)13oxazol5(4H)one
4(3BROMO5METHOXY4((2METHYLBENZYL)OXY)BENZYLIDENE)2(1NAPHTHYL)13OXAZOL5(4H)ONE
CC1=CC=CC=C1COC2=C(C=C(C=C2Br)C=C3C(=O)OC(=N3)C4=CC=CC5=CC=CC=C54)OC
COc1cc(C=C2N=C(OC2=O)c2cccc3c2cccc3)cc(c1OCc1ccccc1C)Br
InChI=1SC29H22BrNO4c1188341021(18)17342724(30)1419(1626(27)332)152529(32)3528(3125)2313711209561222(20)23h316H17H212H3b2515+
MFCD01449813
ZINC000002095744
ZINC02095744
ZINC2095744
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