Vitas-M small molecule compound
2-methoxy-4-{(E)-[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzoate
Catalog ID
STL428807
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/N=C(OC1=O)c1cccc(c1)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 C25H18ClNO5 MW 447.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO5/c1-15-4-3-5-18(12-15)23-27-20(25(29)32-23)13-16-6-11-21(22(14-16)30-2)31-24(28)17-7-9-19(26)10-8-17/h3-14H,1-2H3/b20-13+InChIKey
QYIVLHQNRWQVCZ-DEDYPNTBSA-NSynonyms
(2METHOXY4((E)(2(3METHYLPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
2methoxy4((E)(2(3methylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl4chlorobenzoate
CC1=CC=CC(=C1)C2=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)c1cccc(c1)C
InChI=1SC25H18ClNO5c11543518(1215)232720(25(29)3223)131661121(22(1416)302)3124(28)177919(26)10817h314H12H3b2013+
MFCD06176908
ZINC000003003850
ZINC3003850
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