Vitas-M small molecule compound
methyl 5-cyano-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Catalog ID
STK783490
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(OC)c(c(c1)OC)O)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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-12-17(21(25)28-4)18(13-9-15(26-2)19(24)16(10-13)27-3)14(11-22)20(29-12)23-7-5-6-8-23/h5-10,18,24H,1-4H3InChIKey
PSAPDXIKPNGSSO-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N2C=CC=C2)C#N)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OC
InChI=1SC21H20N2O6c11217(21(25)284)18(13915(262)19(24)16(1013)273)14(1122)20(2912)23756823h5101824H14H3
methyl5cyano4(4hydroxy35dimethoxyphenyl)2methyl6(1Hpyrrol1yl)4Hpyran3carboxylate
METHYL5CYANO4(4HYDROXY35DIMETHOXYPHENYL)2METHYL6PYRROL1YL4HPYRAN3CARBOXYLATE
METHYL5CYANO4(4HYDROXY35DIMETHOXYPHENYL)2METHYL6PYRROLYL4HPYRAN3CARBOXYLATE
MFCD06618314
ZINC000004751339
ZINC000004751340
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