Vitas-M small molecule compound
methyl 4-[8-cyano-3-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Catalog ID
STK886728
SMILES COc1ccc(cc1)C1(O)CSC2=C(C(CC(=O)N12)c1ccc(cc1)C(=O)OC)C#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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-29-17-9-7-16(8-10-17)23(28)13-31-21-19(12-24)18(11-20(26)25(21)23)14-3-5-15(6-4-14)22(27)30-2/h3-10,18,28H,11,13H2,1-2H3InChIKey
NWUJIAQZFNHZDB-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2(CSC3=C(C(CC(=O)N32)C4=CC=C(C=C4)C(=O)OC)C#N)O
InChI=1SC23H20N2O5Sc129179716(81017)23(28)13312119(1224)18(1120(26)25(21)23)143515(6414)22(27)302h3101828H1113H212H3
methyl4(8cyano3hydroxy3(4methoxyphenyl)5oxo2367tetrahydro5H(13)thiazolo(32a)pyridin7yl)benzoate
methyl4(8cyano3hydroxy3(4methoxyphenyl)5oxo67dihydro2H(13)thiazolo(32a)pyridin7yl)benzoate
MFCD10087246
ZINC000012275177
ZINC000012275181
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