Vitas-M small molecule compound
4-(3,4-dimethylphenyl)-5-hydroxy-7,8-dimethylnaphtho[2,1-d][1,3]oxathiol-2-one
Catalog ID
STL069665
SMILES O=c1sc2c(o1)c1cc(C)c(cc1c(c2c1ccc(c(c1)C)C)O)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 C21H18O3S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O3S/c1-10-5-6-14(7-11(10)2)17-18(22)15-8-12(3)13(4)9-16(15)19-20(17)25-21(23)24-19/h5-9,22H,1-4H3InChIKey
WKRAYFCVIACWFB-UHFFFAOYSA-NSynonyms
638143-30-34(34DIMETHYLPHENYL)5HYDROXY78DIMETHYLBENZO(G)(13)BENZOXATHIOL2ONE
4(34dimethylphenyl)5hydroxy78dimethylnaphtho(21d)(13)oxathiol2one
638143303
CC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C4=C2SC(=O)O4)C)C)O)C
InChI=1SC21H18O3Sc1105614(711(10)2)1718(22)15812(3)13(4)916(15)1920(17)2521(23)2419h5922H14H3
MFCD04160250
ZINC000002405385
ZINC02405385
ZINC2405385
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