Vitas-M small molecule compound
methyl 4-[3-(4-chlorophenyl)-8-cyano-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Catalog ID
STK827139
SMILES COC(=O)c1ccc(cc1)C1CC(=O)N2C(=C1C#N)SCC2(O)c1ccc(cc1)Cl
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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 C22H17ClN2O4S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4S/c1-29-21(27)14-4-2-13(3-5-14)17-10-19(26)25-20(18(17)11-24)30-12-22(25,28)15-6-8-16(23)9-7-15/h2-9,17,28H,10,12H2,1H3InChIKey
LEMOSZUDSGHOLA-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2CC(=O)N3C(=C2C#N)SCC3(C4=CC=C(C=C4)Cl)O
InChI=1SC22H17ClN2O4Sc12921(27)144213(3514)171019(26)2520(18(17)1124)301222(2528)156816(23)9715h291728H1012H21H3
methyl4(3(4chlorophenyl)8cyano3hydroxy5oxo2367tetrahydro5H(13)thiazolo(32a)pyridin7yl)benzoate
methyl4(3(4chlorophenyl)8cyano3hydroxy5oxo67dihydro2H(13)thiazolo(32a)pyridin7yl)benzoate
MFCD10087249
ZINC000012275199
ZINC000012275206
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