Vitas-M small molecule compound

7-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one

Catalog ID
STK666542
SMILES CCOc1c(CSc2nc3c(o2)ccc(c3)Cl)c2C(=O)OCc2c(c1OCC)OCC

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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 C22H22ClNO6S MW 463.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO6S/c1-4-26-18-13-10-29-21(25)17(13)14(19(27-5-2)20(18)28-6-3)11-31-22-24-15-9-12(23)7-8-16(15)30-22/h7-9H,4-6,10-11H2,1-3H3
InChIKey
FUQZLFRJFFQRIQ-UHFFFAOYSA-N
Synonyms

7(((5chloro13benzoxazol2yl)sulfanyl)methyl)456triethoxy2benzofuran1(3H)one
7((5chloro13benzoxazol2yl)sulfanylmethyl)456triethoxy3H2benzofuran1one
CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=C(O3)C=CC(=C4)Cl)OCC)OCC
InChI=1SC22H22ClNO6Sc14261813102921(25)17(13)14(19(2752)20(18)2863)1131222415912(23)7816(15)3022h79H461011H213H3
MFCD09064636
ZINC000012411314
ZINC12411314

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.