Vitas-M small molecule compound

propan-2-yl 6-amino-4-(4-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate

Catalog ID
STK669557
SMILES N#CC1=C(N)OC(=C(C1c1ccc(cc1)Br)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(12-35-25-19(10-28)15(4)14(3)16(5)31-25)34-24(30)20(11-29)22(23)17-6-8-18(27)9-7-17/h6-9,13,22H,12,30H2,1-5H3
InChIKey
JIPZSHPBUPWEOS-UHFFFAOYSA-N
Synonyms

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Br)C(=O)OC(C)C)C
InChI=1SC26H25BrN4O3Sc113(2)3326(32)2321(12352519(1028)15(4)14(3)16(5)3125)3424(30)20(1129)22(23)176818(27)9717h691322H1230H215H3
isopropyl6amino4(4bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)thio)methyl)4Hpyran3carboxylate
MFCD00743884
propan2yl6amino4(4bromophenyl)5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
PROPAN2YL6AMINO4(4BROMOPHENYL)5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
ZINC000001873557
ZINC000053333514

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Available files

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