Vitas-M small molecule compound
methyl 6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Catalog ID
STK007698
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)C#N)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 C20H21N3O8 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O8/c1-27-13-6-10(4-5-12(13)30-9-15(22)24)17-11(8-21)19(23)31-14(7-16(25)28-2)18(17)20(26)29-3/h4-6,17H,7,9,23H2,1-3H3,(H2,22,24)InChIKey
XIHKSBCIVSJSFG-UHFFFAOYSA-NSynonyms
487007-41-0487007410
COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)OC)OCC(=O)N)C#N)N
COC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N)OCC(=O)N
InChI=1SC20H21N3O8c12713610(4512(13)30915(22)24)1711(821)19(23)3114(716(25)282)18(17)20(26)293h4617H7923H213H3(H22224)
METHYL6AMINO4(4(2AMINO2OXOETHOXY)3METHOXYPHENYL)5CYANO2(2METHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
MFCD01855692
STK007698
ZINC000001833925
ZINC000001833926
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