Vitas-M small molecule compound
{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]sulfanyl}acetic acid
Catalog ID
STL279118
SMILES OC(=O)CSCCC(=O)c1ccc2c(c1)OCCO2
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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 C13H14O5S MW 282.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O5S/c14-10(3-6-19-8-13(15)16)9-1-2-11-12(7-9)18-5-4-17-11/h1-2,7H,3-6,8H2,(H,15,16)InChIKey
WQMXFDOETUYRCZ-UHFFFAOYSA-NSynonyms
((3(23dihydro14benzodioxin6yl)3oxopropyl)sulfanyl)aceticacid
2(3(23dihydro14benzodioxin6yl)3oxopropyl)sulfanylaceticacid
C1COC2=C(O1)C=CC(=C2)C(=O)CCSCC(=O)O
InChI=1SC13H14O5Sc1410(3619813(15)16)9121112(79)18541711h127H368H2(H1516)
MFCD24855978
ZINC000035682855
ZINC35682855
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