Vitas-M small molecule compound
4-chloro-3-methylphenyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Catalog ID
STK378856
SMILES O=C(c1ccc2c(c1)OCCO2)Oc1ccc(c(c1)C)Cl
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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 C16H13ClO4 MW 304.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClO4/c1-10-8-12(3-4-13(10)17)21-16(18)11-2-5-14-15(9-11)20-7-6-19-14/h2-5,8-9H,6-7H2,1H3InChIKey
CTYASEHEVQUVGZ-UHFFFAOYSA-NSynonyms
(4CHLORO3METHYLPHENYL)23DIHYDRO14BENZODIOXINE6CARBOXYLATE
4chloro3methylphenyl23dihydro14benzodioxine6carboxylate
4CHLORO3METHYLPHENYL2H3HBENZO(34E)14DIOXANE6CARBOXYLATE
CC1=C(C=CC(=C1)OC(=O)C2=CC3=C(C=C2)OCCO3)Cl
InChI=1SC16H13ClO4c110812(3413(10)17)2116(18)11251415(911)20761914h2589H67H21H3
MFCD02067421
ZINC000004503113
ZINC04503113
ZINC4503113
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