Vitas-M small molecule compound
4-{(E)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoic acid
Catalog ID
STK025305
SMILES COc1ccc(cc1)C1=N/C(=C/c2ccc(cc2)C(=O)O)/C(=O)O1
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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 C18H13NO5 MW 323.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO5/c1-23-14-8-6-12(7-9-14)16-19-15(18(22)24-16)10-11-2-4-13(5-3-11)17(20)21/h2-10H,1H3,(H,20,21)/b15-10+InChIKey
CRDGFKDTGDJGSQ-XNTDXEJSSA-NSynonyms
4((E)(2(4METHOXYPHENYL)5OXO13OXAZOL4(5H)YLIDENE)METHYL)BENZOICACID
4((E)(2(4METHOXYPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)BENZOICACID
COC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C(=O)O)C(=O)O2
COc1ccc(cc1)C1=NC(=Cc2ccc(cc2)C(=O)O)C(=O)O1
InChI=1SC18H13NO5c123148612(7914)161915(18(22)2416)10112413(5311)17(20)21h210H1H3(H2021)b1510+
MFCD02639655
STK025305
ZINC000000576023
ZINC576023
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