Vitas-M small molecule compound
propyl 2-chloro-5-[({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK281954
SMILES CCCOC(=O)c1cc(ccc1Cl)NC(=O)CSc1nc(C)cc(c1C#N)COC
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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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-4-7-29-21(27)16-9-15(5-6-18(16)22)25-19(26)12-30-20-17(10-23)14(11-28-3)8-13(2)24-20/h5-6,8-9H,4,7,11-12H2,1-3H3,(H,25,26)InChIKey
ZKKLJIUIYSRYGS-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)Cl
InChI=1SC21H22ClN3O4Sc1472921(27)16915(5618(16)22)2519(26)12302017(1023)14(11283)813(2)2420h5689H471112H213H3(H2526)
MFCD06166967
PROPYL2CHLORO5((((3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
propyl2chloro5((2(3cyano4(methoxymethyl)6methylpyridin2yl)sulfanylacetyl)amino)benzoate
ZINC000009096413
ZINC09096413
ZINC9096413
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