Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
Catalog ID
STK629172
SMILES CCc1cc2c(cc1OC(=O)c1ccc(c(c1)OC)OC)oc(c(c2=O)c1ccc2c(c1)OCCCO2)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 C30H28O8 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O8/c1-5-18-13-21-25(16-24(18)38-30(32)20-8-9-22(33-3)26(15-20)34-4)37-17(2)28(29(21)31)19-7-10-23-27(14-19)36-12-6-11-35-23/h7-10,13-16H,5-6,11-12H2,1-4H3InChIKey
QVAFKNJVDVYLDC-UHFFFAOYSA-NSynonyms
618389-59-6(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL2METHYL4OXOCHROMEN7YL)34DIMETHOXYBENZOATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL2METHYL4OXOCHROMEN7YL34DIMETHOXYBENZOATE
3(34dihydro2H15benzodioxepin7yl)6ethyl2methyl4oxo4Hchromen7yl34dimethoxybenzoate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl2methyl4oxo4Hchromen7yl34dimethoxybenzoate
618389596
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC(=C(C=C5)OC)OC
InChI=1SC30H28O8c1518132125(1624(18)3830(32)208922(333)26(1520)344)3717(2)28(29(21)31)197102327(1419)36126113523h7101316H561112H214H3
MFCD03852750
ZINC000002235961
ZINC02235961
ZINC2235961
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