Vitas-M small molecule compound
ethyl 6-amino-2-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Catalog ID
STK669562
SMILES CCOC(=O)C1=C(CSc2nc(N)c(c(c2C#N)c2ccc(cc2)F)C#N)OC(=C(C1c1cccs1)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 C27H19FN6O3S2 MW 558.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN6O3S2/c1-2-36-27(35)23-19(37-25(33)17(11-30)22(23)20-4-3-9-38-20)13-39-26-18(12-31)21(16(10-29)24(32)34-26)14-5-7-15(28)8-6-14/h3-9,22H,2,13,33H2,1H3,(H2,32,34)InChIKey
VVZVIRXCVKNFMH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=CS2)C#N)N)CSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)F)C#N
ethyl6amino2(((6amino35dicyano4(4fluorophenyl)pyridin2yl)sulfanyl)methyl)5cyano4(thiophen2yl)4Hpyran3carboxylate
ETHYL6AMINO2((6AMINO35DICYANO4(4FLUOROPHENYL)PYRIDIN2YL)SULFANYLMETHYL)5CYANO4THIOPHEN2YL4HPYRAN3CARBOXYLATE
InChI=1SC27H19FN6O3S2c123627(35)2319(3725(33)17(1130)22(23)204393820)13392618(1231)21(16(1029)24(32)3426)145715(28)8614h3922H21333H21H3(H23234)
MFCD00743894
ZINC000029749222
ZINC000029749225
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