Vitas-M small molecule compound
methyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK087317
SMILES COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccccc1Cl)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 C23H19ClN4O3S MW 466.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3S/c1-12-8-13(2)28-22(15(12)9-25)32-11-18-20(23(29)30-3)19(16(10-26)21(27)31-18)14-6-4-5-7-17(14)24/h4-8,19H,11,27H2,1-3H3InChIKey
UHDBLCPRRSMSGL-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)OC)C
COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccccc1Cl)C#N)N
InChI=1SC23H19ClN4O3Sc112813(2)2822(15(12)925)32111820(23(29)303)19(16(1026)21(27)3118)14645717(14)24h4819H1127H213H3
METHYL6AMINO4(2CHLOROPHENYL)5CYANO2(((3CYANO46DIMETHYL2PYRIDINYL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO4(2CHLOROPHENYL)5CYANO2(((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO4(2CHLOROPHENYL)5CYANO2((3CYANO46DIMETHYL(2PYRIDYLTHIO))METHYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO4(2CHLOROPHENYL)5CYANO2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
MFCD01835882
STK087317
ZINC000000659977
ZINC000000659980
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.