Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-6-propyl-4H-chromen-4-one
Catalog ID
STK976604
SMILES CCCc1cc2c(cc1O)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 C21H20O5 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O5/c1-2-4-14-9-15-19(11-17(14)22)26-12-16(21(15)23)13-5-6-18-20(10-13)25-8-3-7-24-18/h5-6,9-12,22H,2-4,7-8H2,1H3InChIKey
IKTHWJWVBYKWAF-UHFFFAOYSA-NSynonyms
170511-38-3170511383
3(2H3H4HBENZO(B)14DIOXEPIN7YL)7HYDROXY6PROPYLCHROMEN4ONE
3(34DIHYDRO2H15BENZODIOXEPIN7YL)7HYDROXY6PROPYL4HCHROMEN4ONE
3(34DIHYDRO2H15BENZODIOXEPIN7YL)7HYDROXY6PROPYLCHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)7hydroxy6propyl4Hchromen4one
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)O
InChI=1SC21H20O5c1241491519(1117(14)22)261216(21(15)23)13561820(1013)258372418h5691222H2478H21H3
MFCD00181409
ZINC000005900293
ZINC05900293
ZINC5900293
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