Vitas-M small molecule compound
ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK674084
SMILES CCOC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccc(c(c1)Br)OC)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 C25H23BrN4O4S MW 555.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN4O4S/c1-5-33-25(31)22-20(12-35-24-16(10-27)13(2)8-14(3)30-24)34-23(29)17(11-28)21(22)15-6-7-19(32-4)18(26)9-15/h6-9,21H,5,12,29H2,1-4H3InChIKey
VFPXVUKQEGDRAO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)Br)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
ETHYL6AMINO4(3BROMO4METHOXYPHENYL)5CYANO2(((3CYANO46DIMETHYL2PYRIDINYL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
ethyl6amino4(3bromo4methoxyphenyl)5cyano2(((3cyano46dimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ETHYL6AMINO4(3BROMO4METHOXYPHENYL)5CYANO2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC25H23BrN4O4Sc153325(31)2220(12352416(1027)13(2)814(3)3024)3423(29)17(1128)21(22)156719(324)18(26)915h6921H51229H214H3
MFCD01243024
ZINC000008448652
ZINC000008448653
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