Vitas-M small molecule compound

2-methyl-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-yl 1,3-benzodioxole-5-carboxylate

Catalog ID
STL033995
SMILES CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2

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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 C28H22O9 MW 502.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22O9/c1-3-12-32-27(30)17-4-7-19(8-5-17)36-26-16(2)35-23-14-20(9-10-21(23)25(26)29)37-28(31)18-6-11-22-24(13-18)34-15-33-22/h4-11,13-14H,3,12,15H2,1-2H3
InChIKey
DPLWRYBVTHBXCB-UHFFFAOYSA-N
Synonyms
859137-07-8
(2METHYL4OXO3(4PROPOXYCARBONYLPHENOXY)CHROMEN7YL)13BENZODIOXOLE5CARBOXYLATE
2methyl4oxo3(4(propoxycarbonyl)phenoxy)4Hchromen7yl13benzodioxole5carboxylate
2methyl4oxo3(4(propoxycarbonyl)phenoxy)4Hchromen7ylbenzo(d)(13)dioxole5carboxylate
2METHYL4OXO3(4(PROPOXYCARBONYL)PHENOXY)CHROMEN7YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
859137078
CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5)C
InChI=1SC28H22O9c13123227(30)174719(8517)362616(2)35231420(91021(23)25(26)29)3728(31)186112224(1318)34153322h4111314H31215H212H3
MFCD04146250
ZINC000002105426
ZINC02105426
ZINC2105426

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Available files

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