Vitas-M small molecule compound
4-{(E)-[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
Catalog ID
STK747950
SMILES CCOc1cc(ccc1OC(=O)C)/C=C\1/N=C(OC1=O)c1ccc2c(c1)OCO2
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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 C21H17NO7 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO7/c1-3-25-18-9-13(4-6-17(18)28-12(2)23)8-15-21(24)29-20(22-15)14-5-7-16-19(10-14)27-11-26-16/h4-10H,3,11H2,1-2H3/b15-8+InChIKey
WKQQNBBZGPSAEF-OVCLIPMQSA-NSynonyms
(4((E)(2(13BENZODIOXOL5YL)5OXO13OXAZOL4YLIDENE)METHYL)2ETHOXYPHENYL)ACETATE
4((2(2HBENZO(34D)13DIOXOLAN5YL)5OXO(13OXAZOLIN4YLIDENE))METHYL)2ETHOXYPHENYLACETATE
4((E)(2(13benzodioxol5yl)5oxo13oxazol4(5H)ylidene)methyl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C=C1N=C(OC1=O)c1ccc2c(c1)OCO2
InChI=1SC21H17NO7c132518913(4617(18)2812(2)23)81521(24)2920(2215)14571619(1014)27112616h410H311H212H3b158+
MFCD00742622
ZINC000001051769
ZINC01051769
ZINC1051769
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