Vitas-M small molecule compound
methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Catalog ID
STK827152
SMILES N#CC1=C2SCC(N2C(=O)CC1c1ccc(cc1)C(=O)OC)(O)c1ccc(c(c1)OC)OC
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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 C24H22N2O6S MW 466.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O6S/c1-30-19-9-8-16(10-20(19)31-2)24(29)13-33-22-18(12-25)17(11-21(27)26(22)24)14-4-6-15(7-5-14)23(28)32-3/h4-10,17,29H,11,13H2,1-3H3InChIKey
ROAWDCQVWQMBLZ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2(CSC3=C(C(CC(=O)N32)C4=CC=C(C=C4)C(=O)OC)C#N)O)OC
InChI=1SC24H22N2O6Sc130199816(1020(19)312)24(29)13332218(1225)17(1121(27)26(22)24)144615(7514)23(28)323h4101729H1113H213H3
methyl4(8cyano3(34dimethoxyphenyl)3hydroxy5oxo2367tetrahydro5H(13)thiazolo(32a)pyridin7yl)benzoate
methyl4(8cyano3(34dimethoxyphenyl)3hydroxy5oxo67dihydro2H(13)thiazolo(32a)pyridin7yl)benzoate
MFCD10087269
ZINC000012275342
ZINC000012275345
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