Vitas-M small molecule compound
propan-2-yl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669556
SMILES N#CC1=C(N)OC(=C(C1c1ccccc1Br)C(=O)OC(C)C)CSc1nc(C)c(c(c1C#N)C)C
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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 C26H25BrN4O3S MW 553.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN4O3S/c1-13(2)33-26(32)23-21(12-35-25-18(10-28)15(4)14(3)16(5)31-25)34-24(30)19(11-29)22(23)17-8-6-7-9-20(17)27/h6-9,13,22H,12,30H2,1-5H3InChIKey
RGEGNGIRVQJOCC-UHFFFAOYSA-NSynonyms
CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Br)C(=O)OC(C)C)C
InChI=1SC26H25BrN4O3Sc113(2)3326(32)2321(12352518(1028)15(4)14(3)16(5)3125)3424(30)19(1129)22(23)17867920(17)27h691322H1230H215H3
isopropyl6amino4(2bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4Hpyran3carboxylate
MFCD00743883
propan2yl6amino4(2bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
PROPAN2YL6AMINO4(2BROMOPHENYL)5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
ZINC000033354353
ZINC000033354355
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