Vitas-M small molecule compound
2-methoxy-4-{(E)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzoate
Catalog ID
STL428805
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/N=C(OC1=O)c1ccccc1C
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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 C25H18ClNO5 MW 447.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5/c1-15-5-3-4-6-19(15)23-27-20(25(29)32-23)13-16-7-12-21(22(14-16)30-2)31-24(28)17-8-10-18(26)11-9-17/h3-14H,1-2H3/b20-13+InChIKey
XEVCVGVOIHSRMR-DEDYPNTBSA-NSynonyms
(2METHOXY4((E)(2(2METHYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
2methoxy4((E)(2(2methylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4chlorobenzoate
CC1=CC=CC=C1C2=NC(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)OC)C(=O)O2
COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C=C1N=C(OC1=O)c1ccccc1C
InChI=1SC25H18ClNO5c115534619(15)232720(25(29)3223)131671221(22(1416)302)3124(28)1781018(26)11917h314H12H3b2013+
MFCD07546720
ZINC000003461154
ZINC3461154
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