Vitas-M small molecule compound
methyl [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxyphenoxy]acetate
Catalog ID
STL371430
SMILES CCOc1cc(ccc1OCC(=O)OC)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N
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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 C23H26N2O6 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/c1-5-29-17-8-13(6-7-16(17)30-12-19(27)28-4)20-14(11-24)22(25)31-18-10-23(2,3)9-15(26)21(18)20/h6-8,20H,5,9-10,12,25H2,1-4H3InChIKey
GAXLGEDPWARSJX-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)OC
InChI=1SC23H26N2O6c152917813(6716(17)301219(27)284)2014(1124)22(25)31181023(23)915(26)21(18)20h6820H59101225H214H3
methyl(4(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)2ethoxyphenoxy)acetate
METHYL2(4(2AMINO3CYANO77DIMETHYL5OXO(4H678TRIHYDROCHROMEN4YL))2ETHOXYPHENOXY)ACETATE
METHYL2(4(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)2ETHOXYPHENOXY)ACETATE
MFCD05818447
ZINC000000818634
ZINC000000818635
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