Vitas-M small molecule compound
ethyl 5-cyano-4-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783889
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)C)C#N)n1cccc1
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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-5-34-29(32)26-20(3)36-28(31-13-6-7-14-31)23(17-30)27(26)22-11-12-24(25(16-22)33-4)35-18-21-10-8-9-19(2)15-21/h6-16,27H,5,18H2,1-4H3InChIKey
HFLCMRAXACHWNX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C)OC)C#N)N4C=CC=C4)C
ethyl5cyano4(3methoxy4((3methylbenzyl)oxy)phenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
ETHYL5CYANO4(3METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
InChI=1SC29H28N2O5c153429(32)2620(3)3628(3113671431)23(1730)27(26)22111224(25(1622)334)351821108919(2)1521h61627H518H214H3
MFCD06619143
ZINC000012412730
ZINC000012412732
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