Vitas-M small molecule compound
7-(4-butylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Catalog ID
STK864760
SMILES CCCCc1ccc(cc1)c1cc(O)cc2c1oc(=O)s2
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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 C17H16O3S MW 300.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16O3S/c1-2-3-4-11-5-7-12(8-6-11)14-9-13(18)10-15-16(14)20-17(19)21-15/h5-10,18H,2-4H2,1H3InChIKey
AJUMQMGCUMVORS-UHFFFAOYSA-NSynonyms
618395-22-5618395225
7(4butylphenyl)5hydroxy13benzoxathiol2one
7(4butylphenyl)5hydroxybenzo(d)(13)oxathiol2one
CCCCC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)O
InChI=1SC17H16O3Sc1234115712(8611)14913(18)101516(14)2017(19)2115h51018H24H21H3
MFCD03828268
ZINC000002414897
ZINC02414897
ZINC2414897
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