Vitas-M small molecule compound
methyl 4-[7-cyano-8-(4-fluorophenyl)-6-oxo-2H,6H-pyrimido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Catalog ID
STK635112
SMILES COC(=O)c1ccc(cc1)N1CSc2n(C1)c(=O)c(c(n2)c1ccc(cc1)F)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 C21H15FN4O3S MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN4O3S/c1-29-20(28)14-4-8-16(9-5-14)25-11-26-19(27)17(10-23)18(24-21(26)30-12-25)13-2-6-15(22)7-3-13/h2-9H,11-12H2,1H3InChIKey
ZRDIHULFMBAXMI-UHFFFAOYSA-NSynonyms
951954-12-4951954124
COC(=O)C1=CC=C(C=C1)N2CN3C(=O)C(=C(N=C3SC2)C4=CC=C(C=C4)F)C#N
InChI=1SC21H15FN4O3Sc12920(28)144816(9514)25112619(27)17(1023)18(2421(26)301225)132615(22)7313h29H1112H21H3
methyl4(7cyano8(4fluorophenyl)6oxo24dihydropyrimido(21b)(135)thiadiazin3yl)benzoate
methyl4(7cyano8(4fluorophenyl)6oxo2H6Hpyrimido(21b)(135)thiadiazin3(4H)yl)benzoate
methyl4(7cyano8(4fluorophenyl)6oxopyrimido(21b)(135)thiadiazin3(2H4H6H)yl)benzoate
MFCD09850209
ZINC000013685676
ZINC13685676
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