Vitas-M small molecule compound

ethyl 2-amino-4-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STK692776
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1c(CCC)c(OC)c3c(c1OC)OCO3)C(=O)CC(C2)(C)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 C26H33NO8 MW 487.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO8/c1-7-9-13-16(21(31-6)23-22(20(13)30-5)33-12-34-23)18-17-14(28)10-26(3,4)11-15(17)35-24(27)19(18)25(29)32-8-2/h18H,7-12,27H2,1-6H3
InChIKey
LGJYRPQKOVRKFD-UHFFFAOYSA-N
Synonyms

CCCC1=C(C(=C2C(=C1OC)OCO2)OC)C3C4=C(CC(CC4=O)(C)C)OC(=C3C(=O)OCC)N
ethyl2amino4(47dimethoxy6propyl13benzodioxol5yl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(47dimethoxy6propyl13benzodioxol5yl)77dimethyl5oxo68dihydro4Hchromene3carboxylate
InChI=1SC26H33NO8c1791316(21(316)2322(20(13)305)33123423)181714(28)1026(34)1115(17)3524(27)19(18)25(29)3282h18H71227H216H3
MFCD10038793
ZINC000015084759
ZINC000015084761

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Available files

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