Vitas-M small molecule compound
4-chloro-2-formylphenyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate
Catalog ID
STL017444
SMILES O=Cc1cc(Cl)ccc1OC(=O)C1(C)OC(=O)c2c(C1)cccc2
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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 C18H13ClO5 MW 344.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClO5/c1-18(9-11-4-2-3-5-14(11)16(21)24-18)17(22)23-15-7-6-13(19)8-12(15)10-20/h2-8,10H,9H2,1H3InChIKey
JSRULTBTLNIIHR-UHFFFAOYSA-NSynonyms
(4chloro2formylphenyl)3methyl1oxo4Hisochromene3carboxylate
4chloro2formylphenyl3methyl1oxo34dihydro1Hisochromene3carboxylate
4CHLORO2FORMYLPHENYL3METHYL1OXOISOCHROMANE3CARBOXYLATE
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC3=C(C=C(C=C3)Cl)C=O
InChI=1SC18H13ClO5c118(911423514(11)16(21)2418)17(22)23157613(19)812(15)1020h2810H9H21H3
MFCD05847575
ZINC000005235383
ZINC000005235384
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