Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
Catalog ID
STK888657
SMILES CCc1cc2c(cc1OC(=O)c1cc(OC)c(c(c1)OC)OC)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 C30H28O9 MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O9/c1-5-17-11-20-24(15-23(17)39-30(32)19-13-26(33-2)29(35-4)27(14-19)34-3)38-16-21(28(20)31)18-7-8-22-25(12-18)37-10-6-9-36-22/h7-8,11-16H,5-6,9-10H2,1-4H3InChIKey
LWTJNYIYAFHJBA-UHFFFAOYSA-NSynonyms
618389-14-3(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL4OXOCHROMEN7YL)345TRIMETHOXYBENZOATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL4OXOCHROMEN7YL345TRIMETHOXYBENZOATE
3(34dihydro2H15benzodioxepin7yl)6ethyl4oxo4Hchromen7yl345trimethoxybenzoate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl4oxo4Hchromen7yl345trimethoxybenzoate
618389143
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC30H28O9c1517112024(1523(17)3930(32)191326(332)29(354)27(1419)343)381621(28(20)31)18782225(1218)3710693622h781116H56910H214H3
MFCD03853132
ZINC000002094387
ZINC2094387
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