Vitas-M small molecule compound

ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate

Catalog ID
STK669691
SMILES CCOC(=O)C1=C(CSc2nc(N)c(c(c2C#N)c2cccs2)C#N)OC(=C(C1c1ccccc1)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 C27H20N6O3S2 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O3S2/c1-2-35-27(34)23-19(36-25(32)17(12-29)21(23)15-7-4-3-5-8-15)14-38-26-18(13-30)22(20-9-6-10-37-20)16(11-28)24(31)33-26/h3-10,21H,2,14,32H2,1H3,(H2,31,33)
InChIKey
IRDJIAHINOZBGZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N
ethyl6amino2(((6amino35dicyano4(thiophen2yl)pyridin2yl)sulfanyl)methyl)5cyano4phenyl4Hpyran3carboxylate
ETHYL6AMINO2((6AMINO35DICYANO4THIOPHEN2YLPYRIDIN2YL)SULFANYLMETHYL)5CYANO4PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC27H20N6O3S2c123527(34)2319(3625(32)17(1229)21(23)157435815)14382618(1330)22(2096103720)16(1128)24(31)3326h31021H21432H21H3(H23133)
MFCD00744572
ZINC000035958626
ZINC000053277388

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Available files

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