Vitas-M small molecule compound
methyl 4-(7-cyano-6-oxo-8-phenyl-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl)benzoate
Catalog ID
STK643207
SMILES COC(=O)c1ccc(cc1)N1CSc2n(C1)c(=O)c(c(n2)c1ccccc1)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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-28-20(27)15-7-9-16(10-8-15)24-12-25-19(26)17(11-22)18(23-21(25)29-13-24)14-5-3-2-4-6-14/h2-10H,12-13H2,1H3InChIKey
QYPKWNSAQPSFNO-UHFFFAOYSA-NSynonyms
951988-84-4951988844
COC(=O)C1=CC=C(C=C1)N2CN3C(=O)C(=C(N=C3SC2)C4=CC=CC=C4)C#N
InChI=1SC21H16N4O3Sc12820(27)157916(10815)24122519(26)17(1122)18(2321(25)291324)145324614h210H1213H21H3
methyl4(7cyano6oxo8phenyl24dihydropyrimido(21b)(135)thiadiazin3yl)benzoate
methyl4(7cyano6oxo8phenyl2H6Hpyrimido(21b)(135)thiadiazin3(4H)yl)benzoate
methyl4(7cyano6oxo8phenylpyrimido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
MFCD09858183
ZINC000013733126
ZINC13733126
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