Vitas-M small molecule compound
methyl 4-[7-cyano-8-(4-methoxyphenyl)-6-oxo-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Catalog ID
STK646947
SMILES COc1ccc(cc1)c1nc2SCN(Cn2c(=O)c1C#N)c1ccc(cc1)C(=O)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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-29-17-9-5-14(6-10-17)19-18(11-23)20(27)26-12-25(13-31-22(26)24-19)16-7-3-15(4-8-16)21(28)30-2/h3-10H,12-13H2,1-2H3InChIKey
KSCHWSWIYMBPGE-UHFFFAOYSA-NSynonyms
951995-32-7951995327
COC1=CC=C(C=C1)C2=C(C(=O)N3CN(CSC3=N2)C4=CC=C(C=C4)C(=O)OC)C#N
InChI=1SC22H18N4O4Sc129179514(61017)1918(1123)20(27)261225(133122(26)2419)167315(4816)21(28)302h310H1213H212H3
methyl4(7cyano8(4methoxyphenyl)6oxo24dihydropyrimido(21b)(135)thiadiazin3yl)benzoate
methyl4(7cyano8(4methoxyphenyl)6oxo2H6Hpyrimido(21b)(135)thiadiazin3(4H)yl)benzoate
methyl4(7cyano8(4methoxyphenyl)6oxopyrimido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
MFCD09858427
ZINC000013734096
ZINC13734096
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