Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate

Catalog ID
STK856598
SMILES CCc1cc2c(cc1OC(=O)c1cccs1)occ(c2=O)c1ccc2c(c1)OCCCO2

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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 C25H20O6S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O6S/c1-2-15-11-17-21(13-20(15)31-25(27)23-5-3-10-32-23)30-14-18(24(17)26)16-6-7-19-22(12-16)29-9-4-8-28-19/h3,5-7,10-14H,2,4,8-9H2,1H3
InChIKey
BSHQRLRHLYMZIB-UHFFFAOYSA-N
Synonyms
610752-93-7
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL4OXOCHROMEN7YL)THIOPHENE2CARBOXYLATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL4OXOCHROMEN7YLTHIOPHENE2CARBOXYLATE
3(34dihydro2H15benzodioxepin7yl)6ethyl4oxo4Hchromen7ylthiophene2carboxylate
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)6ETHYL4OXO4HCHROMEN7YLTHIOPHENE2CARBOXYLATE
610752937
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CS5
InChI=1SC25H20O6Sc1215111721(1320(15)3125(27)2353103223)301418(24(17)26)16671922(1216)299482819h3571014H2489H21H3
MFCD03854011
ZINC000001131733
ZINC01131733
ZINC1131733

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Available files

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