Vitas-M small molecule compound
4-{(E)-[2-(3-chloro-4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 3-chlorobenzoate
Catalog ID
STK114868
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)Cl)/C=C\1/N=C(OC1=O)c1ccc(c(c1)Cl)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 C25H17Cl2NO5 MW 482.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2NO5/c1-14-6-8-16(13-19(14)27)23-28-20(25(30)33-23)10-15-7-9-21(22(11-15)31-2)32-24(29)17-4-3-5-18(26)12-17/h3-13H,1-2H3/b20-10+InChIKey
SMIMMZILWDZVGZ-KEBDBYFISA-NSynonyms
(4((E)(2(3CHLORO4METHYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2METHOXYPHENYL)3CHLOROBENZOATE
4((E)(2(3CHLORO4METHYLPHENYL)5OXO13OXAZOL4(5H)YLIDENE)METHYL)2METHOXYPHENYL3CHLOROBENZOATE
CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl)OC)C(=O)O2)Cl
COc1cc(ccc1OC(=O)c1cccc(c1)Cl)C=C1N=C(OC1=O)c1ccc(c(c1)Cl)C
InChI=1SC25H17Cl2NO5c1146816(1319(14)27)232820(25(30)3323)10157921(22(1115)312)3224(29)1743518(26)1217h313H12H3b2010+
MFCD07546738
ZINC000012628728
ZINC12628728
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