Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxy-2-methyl-6-propyl-4H-chromene-4-thione

Catalog ID
STL512571
SMILES CCCc1cc2c(cc1OC)oc(c(c2=S)c1ccc2c(c1)OCCO2)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 C22H22O4S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O4S/c1-4-5-14-10-16-19(12-18(14)23-3)26-13(2)21(22(16)27)15-6-7-17-20(11-15)25-9-8-24-17/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKey
IXVNCDCOMZPCTK-UHFFFAOYSA-N
Synonyms
313253-82-6
3(23dihydro14benzodioxin6yl)7methoxy2methyl6propyl4Hchromene4thione
3(23DIHYDRO14BENZODIOXIN6YL)7METHOXY2METHYL6PROPYLCHROMENE4THIONE
3(23DIHYDROBENZO(B)(14)DIOXIN6YL)7METHOXY2METHYL6PROPYL4HCHROMENE4THIONE
313253826
984140
InChI=1SC22H22O4Sc14514101619(1218(14)233)2613(2)21(22(16)27)15671720(1115)25982417h671012H4589H213H3
MFCD01235746
ZINC000000630494
ZINC630494

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Available files

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